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

Systemtic Name: N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-2-phenoxy-ethanamide Openeye Name: N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]-2-phenoxy-acetamide CAS Name: N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]-2-phenoxyacetamide Traditional Name: N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-2-phenoxy-acetamide Formula: C24H29N5O4S MolecularWeight: 483.58316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)COC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)COC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O4S/c30-23(18-33-20-7-3-1-4-8-20)25-24(34)28-15-13-26(14-16-28)19-9-10-21(29(31)32)22(17-19)27-11-5-2-6-12-27/h1,3-4,7-10,17H,2,5-6,11-16,18H2,(H,25,30,34)