3-nitro-4-piperidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-nitro-4-piperidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 3-nitro-4-(1-piperidyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 3-nitro-4-(1-piperidinyl)-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-4-piperidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-nitro-4-piperidino-N-[(4-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O3S/c29-22(17-6-11-20(21(16-17)28(30)31)27-14-2-1-3-15-27)25-23(32)24-18-7-9-19(10-8-18)26-12-4-5-13-26/h6-11,16H,1-5,12-15H2,(H2,24,25,29,32)