N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C20H15N5O7S MolecularWeight: 469.4274

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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(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O7S/c26-18(12-8-13(24(28)29)10-14(9-12)25(30)31)23-20(33)22-17-6-2-1-5-16(17)19(27)21-11-15-4-3-7-32-15/h1-10H,11H2,(H,21,27)(H2,22,23,26,33)