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

Systemtic Name: N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]benzamide Formula: C30H33N5O4S MolecularWeight: 559.67912

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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)OCC5=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)OCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H33N5O4S/c36-29(24-9-12-26(13-10-24)39-22-23-7-3-1-4-8-23)31-30(40)34-19-17-32(18-20-34)25-11-14-27(35(37)38)28(21-25)33-15-5-2-6-16-33/h1,3-4,7-14,21H,2,5-6,15-20,22H2,(H,31,36,40)