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

Systemtic Name: 3-nitro-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-4-pyrrolidino-benzamide Formula: C27H33N7O5S MolecularWeight: 567.65982

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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)N5CCCC5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H33N7O5S/c35-26(20-6-8-22(25(18-20)34(38)39)30-12-4-5-13-30)28-27(40)32-16-14-29(15-17-32)21-7-9-23(33(36)37)24(19-21)31-10-2-1-3-11-31/h6-9,18-19H,1-5,10-17H2,(H,28,35,40)