3-[(3-methoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(3-methoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3-methoxycarbonyl-5-methyl-4-phenyl-2-thienyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[(3-methoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-methoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(3-carbomethoxy-5-methyl-4-phenyl-2-thienyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C22H20N2O4S2 MolecularWeight: 440.5352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H20N2O4S2/c1-12-9-10-15(20(25)26)11-16(12)23-22(29)24-19-18(21(27)28-3)17(13(2)30-19)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,25,26)(H2,23,24,29)