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

Systemtic Name: 2-chloranyl-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C18H16Cl2N4O3S MolecularWeight: 439.31564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N4O3S/c19-14-10-12(24(26)27)4-5-13(14)17(25)22-18(28)21-11-3-6-16(15(20)9-11)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8H2,(H2,21,22,25,28)