3-acetamido-N-[2-[methyl-(phenylmethyl)amino]ethyl]-4-(4-methylphenyl)sulfanyl-benzamide

Systemtic Name: 3-acetamido-N-[2-[methyl-(phenylmethyl)amino]ethyl]-4-(4-methylphenyl)sulfanyl-benzamide Openeye Name: 3-acetamido-N-[2-[benzyl(methyl)amino]ethyl]-4-(p-tolylsulfanyl)benzamide CAS Name: 3-acetamido-N-[2-[methyl-(phenylmethyl)amino]ethyl]-4-[(4-methylphenyl)thio]benzamide IUPAC Name: 3-acetamido-N-[2-[benzyl(methyl)amino]ethyl]-4-(4-methylphenyl)sulfanylbenzamide Traditional Name: 3-acetamido-N-[2-[benzyl(methyl)amino]ethyl]-4-(p-tolylthio)benzamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCN(C)CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCN(C)CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C26H29N3O2S/c1-19-9-12-23(13-10-19)32-25-14-11-22(17-24(25)28-20(2)30)26(31)27-15-16-29(3)18-21-7-5-4-6-8-21/h4-14,17H,15-16,18H2,1-3H3,(H,27,31)(H,28,30)