N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C20H15N5O7S MolecularWeight: 469.4274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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