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

Systemtic Name: N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[3-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[3-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[3-(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(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H15N5O7S/c26-18(21-11-17-5-2-6-32-17)12-3-1-4-14(7-12)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)