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

Systemtic Name: 3-(4-chlorophenyl)-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-prop-2-enamide Openeye Name: 3-(4-chlorophenyl)-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]prop-2-enamide CAS Name: 3-(4-chlorophenyl)-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-chlorophenyl)-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]prop-2-enamide Traditional Name: 3-(4-chlorophenyl)-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]acrylamide Formula: C25H28ClN5O3S MolecularWeight: 514.03952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN5O3S/c26-20-7-4-19(5-8-20)6-11-24(32)27-25(35)30-16-14-28(15-17-30)21-9-10-22(31(33)34)23(18-21)29-12-2-1-3-13-29/h4-11,18H,1-3,12-17H2,(H,27,32,35)