2-chloranyl-4-nitro-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 2-chloranyl-4-nitro-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 2-chloro-4-nitro-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 2-chloro-4-nitro-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-4-nitro-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 2-chloro-4-nitro-N-[(2-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN4O3S/c19-14-11-12(23(25)26)7-8-13(14)17(24)21-18(27)20-15-5-1-2-6-16(15)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10H2,(H2,20,21,24,27)