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

Systemtic Name: 2-(4-chlorophenyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-ethanamide Openeye Name: 2-(4-chlorophenyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]acetamide CAS Name: 2-(4-chlorophenyl)-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]acetamide Traditional Name: 2-(4-chlorophenyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]acetamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4S/c1-29-16-6-7-17(18(13-16)25(27)28)23-8-10-24(11-9-23)20(30)22-19(26)12-14-2-4-15(21)5-3-14/h2-7,13H,8-12H2,1H3,(H,22,26,30)