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

Systemtic Name: 2-[2-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[2-(4-benzylpiperazine-1-carbonyl)phenyl]thio]-N-isopropyl-acetamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-18(2)24-22(27)17-29-21-11-7-6-10-20(21)23(28)26-14-12-25(13-15-26)16-19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H,24,27)