4-methyl-3-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-methyl-3-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-methyl-3-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid CAS Name: 4-methyl-3-[[[[[5-(3-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-[[5-(3-nitrophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid Formula: C20H15N3O6S MolecularWeight: 425.4146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6S/c1-11-5-6-13(19(25)26)10-15(11)21-20(30)22-18(24)17-8-7-16(29-17)12-3-2-4-14(9-12)23(27)28/h2-10H,1H3,(H,25,26)(H2,21,22,24,30)