5-nitro-N-[(2-phenylphenyl)carbamothioyl]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-nitro-N-[(2-phenylphenyl)carbamothioyl]-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-nitro-N-[(2-phenylphenyl)carbamothioyl]-2-pyrrolidin-1-yl-benzamide CAS Name: 5-nitro-N-[(2-phenylanilino)-sulfanylidenemethyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-nitro-N-[(2-phenylphenyl)carbamothioyl]-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-nitro-N-[(2-phenylphenyl)thiocarbamoyl]-2-pyrrolidino-benzamide Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C24H22N4O3S/c29-23(20-16-18(28(30)31)12-13-22(20)27-14-6-7-15-27)26-24(32)25-21-11-5-4-10-19(21)17-8-2-1-3-9-17/h1-5,8-13,16H,6-7,14-15H2,(H2,25,26,29,32)