4-chloranyl-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[2-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[2-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[2-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H15ClN4O5S MolecularWeight: 458.8749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN4O5S/c21-15-8-7-12(10-17(15)25(28)29)18(26)24-20(31)23-16-6-2-1-5-14(16)19(27)22-11-13-4-3-9-30-13/h1-10H,11H2,(H,22,27)(H2,23,24,26,31)