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

Systemtic Name: 4-(4-methylphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: 4-[(4-methylphenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(4-methylphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-N-(4-mesyl-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C26H26N2O3S3 MolecularWeight: 510.69124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3S3/c1-19-13-15-21(16-14-19)32-17-7-12-24(29)28(18-20-8-4-3-5-9-20)26-27-25-22(33-26)10-6-11-23(25)34(2,30)31/h3-6,8-11,13-16H,7,12,17-18H2,1-2H3