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

Systemtic Name: N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3-chloro-4-fluoro-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C18H16ClFN4O3S MolecularWeight: 422.861043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClFN4O3S/c19-13-10-12(4-5-14(13)20)21-18(28)22-17(25)11-3-6-15(16(9-11)24(26)27)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8H2,(H2,21,22,25,28)