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

Systemtic Name: 3-(4-methylphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)propanamide CAS Name: 3-[(4-methylphenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(4-methylphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-N-(4-mesyl-1,3-benzothiazol-2-yl)-3-(p-tolylthio)propionamide Formula: C25H24N2O3S3 MolecularWeight: 496.66466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

InChI=1S/C25H24N2O3S3/c1-18-11-13-20(14-12-18)31-16-15-23(28)27(17-19-7-4-3-5-8-19)25-26-24-21(32-25)9-6-10-22(24)33(2,29)30/h3-14H,15-17H2,1-2H3