N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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