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198649-74-0 | Benzenesulfonamide, 4-[[(4-oxo-4H-1-benzopyran-3-yl)methylene]amino]-N-[(phenylamino)thioxomethyl]-
CAS No: 198649-74-0 Catalog No: AG002BNP MDL No:
Product Description
Catalog Number:
AG002BNP
Chemical Name:
Benzenesulfonamide, 4-[[(4-oxo-4H-1-benzopyran-3-yl)methylene]amino]-N-[(phenylamino)thioxomethyl]-
CAS Number:
198649-74-0
Molecular Formula:
C23H17N3O4S2
Molecular Weight:
463.5288
IUPAC Name:
1-[4-[(4-oxochromen-3-yl)methylideneamino]phenyl]sulfonyl-3-phenylthiourea
InChI:
InChI=1S/C23H17N3O4S2/c27-22-16(15-30-21-9-5-4-8-20(21)22)14-24-17-10-12-19(13-11-17)32(28,29)26-23(31)25-18-6-2-1-3-7-18/h1-15H,(H2,25,26,31)
InChI Key:
SAWVEYFZCIUOGG-UHFFFAOYSA-N
SMILES:
S=C(NS(=O)(=O)c1ccc(cc1)N=Cc1coc2c(c1=O)cccc2)Nc1ccccc1
Properties
Complexity:
851
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.066g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
463.526g/mol
Monoisotopic Mass:
463.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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