3-(4-chlorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(4-chlorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(4-chlorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-3-[(4-chlorophenyl)thio]-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C24H21ClN2O3S3 MolecularWeight: 517.08314

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H21ClN2O3S3/c1-33(29,30)20-11-12-21-22(15-20)32-24(26-21)27(16-17-5-3-2-4-6-17)23(28)13-14-31-19-9-7-18(25)8-10-19/h2-12,15H,13-14,16H2,1H3