2-(4-chlorophenyl)-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-ethanamide

Systemtic Name: 2-(4-chlorophenyl)-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-ethanamide Openeye Name: 2-(4-chlorophenyl)-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]acetamide CAS Name: 2-(4-chlorophenyl)-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]acetamide Traditional Name: 2-(4-chlorophenyl)-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]acetamide Formula: C24H28ClN5O3S MolecularWeight: 502.02882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)CC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)CC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H28ClN5O3S/c25-19-6-4-18(5-7-19)16-23(31)26-24(34)29-14-12-27(13-15-29)20-8-9-21(30(32)33)22(17-20)28-10-2-1-3-11-28/h4-9,17H,1-3,10-16H2,(H,26,31,34)