2-(4-methylpiperidin-1-yl)-5-nitro-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 2-(4-methylpiperidin-1-yl)-5-nitro-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 2-(4-methyl-1-piperidyl)-5-nitro-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitro-N-[[3-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-(4-methylpiperidin-1-yl)-5-nitro-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 2-(4-methylpiperidino)-5-nitro-N-[(3-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC(=C3)N4CCCC4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC(=C3)N4CCCC4

InChI

InChI=1S/C24H29N5O3S/c1-17-9-13-28(14-10-17)22-8-7-20(29(31)32)16-21(22)23(30)26-24(33)25-18-5-4-6-19(15-18)27-11-2-3-12-27/h4-8,15-17H,2-3,9-14H2,1H3,(H2,25,26,30,33)