3-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-tosyl-propionamide Formula: C25H24N2O3S3 MolecularWeight: 496.66466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)SC

InChI

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