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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(4-chlorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(4-chlorophenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-3-[(4-chlorophenyl)thio]-N-(4-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=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=C(C=C4)Cl

InChI

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