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

Systemtic Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-2-phenoxy-ethanamide Openeye Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-2-phenoxy-acetamide CAS Name: N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-2-phenoxyacetamide Traditional Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-2-phenoxy-acetamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)COC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)COC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-28-16-7-8-17(18(13-16)24(26)27)22-9-11-23(12-10-22)20(30)21-19(25)14-29-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,25,30)