N-[4-methyl-3-[(4-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-methyl-3-[(4-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-methyl-3-[(4-methyl-3-nitro-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-methyl-3-[[[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-methyl-3-[(4-methyl-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-methyl-3-[(4-methyl-3-nitro-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C21H18N4O5S MolecularWeight: 438.45642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=S)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=S)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5S/c1-12-6-8-15(22-20(27)18-4-3-9-30-18)11-16(12)23-21(31)24-19(26)14-7-5-13(2)17(10-14)25(28)29/h3-11H,1-2H3,(H,22,27)(H2,23,24,26,31)