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

Systemtic Name: N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-3-phenyl-prop-2-enamide Openeye Name: N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]-3-phenyl-prop-2-enamide CAS Name: N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]-3-phenylprop-2-enamide Traditional Name: N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-3-phenyl-acrylamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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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=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O3S/c31-24(12-9-20-7-3-1-4-8-20)26-25(34)29-17-15-27(16-18-29)21-10-11-22(30(32)33)23(19-21)28-13-5-2-6-14-28/h1,3-4,7-12,19H,2,5-6,13-18H2,(H,26,31,34)