3-acetamido-4-(4-methylphenyl)sulfanyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzamide

Systemtic Name: 3-acetamido-4-(4-methylphenyl)sulfanyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzamide Openeye Name: 3-acetamido-N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(p-tolylsulfanyl)benzamide CAS Name: 3-acetamido-4-[(4-methylphenyl)thio]-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 3-acetamido-N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(4-methylphenyl)sulfanylbenzamide Traditional Name: 3-acetamido-N-[2-(4-benzylpiperazino)ethyl]-4-(p-tolylthio)benzamide Formula: C29H34N4O2S MolecularWeight: 502.67086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCN3CCN(CC3)CC4=CC=CC=C4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCN3CCN(CC3)CC4=CC=CC=C4)NC(=O)C

InChI

InChI=1S/C29H34N4O2S/c1-22-8-11-26(12-9-22)36-28-13-10-25(20-27(28)31-23(2)34)29(35)30-14-15-32-16-18-33(19-17-32)21-24-6-4-3-5-7-24/h3-13,20H,14-19,21H2,1-2H3,(H,30,35)(H,31,34)