N-cyclohexyl-N-methyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-cyclohexyl-N-methyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: 2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]sulfanyl-N-cyclohexyl-N-methyl-acetamide CAS Name: N-cyclohexyl-N-methyl-2-[[2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]thio]acetamide IUPAC Name: 2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]sulfanyl-N-cyclohexyl-N-methylacetamide Traditional Name: 2-[[2-(4-benzylpiperazine-1-carbonyl)phenyl]thio]-N-cyclohexyl-N-methyl-acetamide Formula: C27H35N3O2S MolecularWeight: 465.6507

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(C1CCCCC1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O2S/c1-28(23-12-6-3-7-13-23)26(31)21-33-25-15-9-8-14-24(25)27(32)30-18-16-29(17-19-30)20-22-10-4-2-5-11-22/h2,4-5,8-11,14-15,23H,3,6-7,12-13,16-21H2,1H3