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

Systemtic Name: N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H16N4O5S MolecularWeight: 424.42984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H16N4O5S/c25-18(21-12-17-5-2-10-29-17)13-6-8-15(9-7-13)22-20(30)23-19(26)14-3-1-4-16(11-14)24(27)28/h1-11H,12H2,(H,21,25)(H2,22,23,26,30)