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

Systemtic Name: 3-acetamido-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-4-(4-methylphenyl)sulfanyl-benzamide Openeye Name: 3-acetamido-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-4-(p-tolylsulfanyl)benzamide CAS Name: 3-acetamido-N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]-4-[(4-methylphenyl)thio]benzamide IUPAC Name: 3-acetamido-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-4-(4-methylphenyl)sulfanylbenzamide Traditional Name: 3-acetamido-N-[3-[4-(2-fluorophenyl)piperazino]propyl]-4-(p-tolylthio)benzamide Formula: C29H33FN4O2S MolecularWeight: 520.661323

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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)C4=CC=CC=C4F)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4F)NC(=O)C

InChI

InChI=1S/C29H33FN4O2S/c1-21-8-11-24(12-9-21)37-28-13-10-23(20-26(28)32-22(2)35)29(36)31-14-5-15-33-16-18-34(19-17-33)27-7-4-3-6-25(27)30/h3-4,6-13,20H,5,14-19H2,1-2H3,(H,31,36)(H,32,35)