N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O3S/c19-14-7-4-8-15(16(14)22-9-1-2-10-22)20-18(27)21-17(24)12-5-3-6-13(11-12)23(25)26/h3-8,11H,1-2,9-10H2,(H2,20,21,24,27)