N-[2-methoxy-4-[(2-nitrophenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[2-methoxy-4-[(2-nitrophenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[2-methoxy-4-[(2-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[2-methoxy-4-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[2-methoxy-4-[(2-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[2-methoxy-4-[(2-nitrobenzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C20H16N4O6S MolecularWeight: 440.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])NC(=O)C3=CC=CO3

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H16N4O6S/c1-29-17-11-12(8-9-14(17)22-19(26)16-7-4-10-30-16)21-20(31)23-18(25)13-5-2-3-6-15(13)24(27)28/h2-11H,1H3,(H,22,26)(H2,21,23,25,31)