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

Systemtic Name: N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-3-phenylmethoxy-benzamide Openeye Name: 3-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]-3-phenylmethoxybenzamide IUPAC Name: N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-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(=CC=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(=CC=C4)OCC5=CC=CC=C5)[N+](=O)[O-]

InChI

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