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

Systemtic Name: 3-acetamido-4-(4-methylphenyl)sulfanyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzamide Openeye Name: 3-acetamido-N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(p-tolylsulfanyl)benzamide CAS Name: 3-acetamido-4-[(4-methylphenyl)thio]-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 3-acetamido-N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(4-methylphenyl)sulfanylbenzamide Traditional Name: 3-acetamido-N-[3-(4-benzylpiperazino)propyl]-4-(p-tolylthio)benzamide Formula: C30H36N4O2S MolecularWeight: 516.69744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4)NC(=O)C

InChI

InChI=1S/C30H36N4O2S/c1-23-9-12-27(13-10-23)37-29-14-11-26(21-28(29)32-24(2)35)30(36)31-15-6-16-33-17-19-34(20-18-33)22-25-7-4-3-5-8-25/h3-5,7-14,21H,6,15-20,22H2,1-2H3,(H,31,36)(H,32,35)