N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-4-phenyl-benzamide

Systemtic Name: N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-4-phenyl-benzamide Openeye Name: N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]-4-phenyl-benzamide CAS Name: N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]-4-phenylbenzamide Traditional Name: N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-4-phenyl-benzamide Formula: C29H31N5O3S MolecularWeight: 529.65314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H31N5O3S/c35-28(24-11-9-23(10-12-24)22-7-3-1-4-8-22)30-29(38)33-19-17-31(18-20-33)25-13-14-26(34(36)37)27(21-25)32-15-5-2-6-16-32/h1,3-4,7-14,21H,2,5-6,15-20H2,(H,30,35,38)