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6611-85-4 | N-[(6-METHYLBENZOTHIAZOL-2-YL)THIOCARBAMOYL]-4-PHENYL-BENZAMIDE
CAS No: 6611-85-4 Catalog No: AG00H835 MDL No:
Product Description
Catalog Number:
AG00H835
Chemical Name:
N-[(6-METHYLBENZOTHIAZOL-2-YL)THIOCARBAMOYL]-4-PHENYL-BENZAMIDE
CAS Number:
6611-85-4
Molecular Formula:
C22H17N3OS2
Molecular Weight:
403.5199
IUPAC Name:
N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenylbenzamide
InChI:
InChI=1S/C22H17N3OS2/c1-14-7-12-18-19(13-14)28-22(23-18)25-21(27)24-20(26)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H2,23,24,25,26,27)
InChI Key:
YYUPLPJEJLXIGG-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)c1ccc(cc1)c1ccccc1)Nc1nc2c(s1)cc(cc2)C
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.081g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
403.518g/mol
Monoisotopic Mass:
403.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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