3-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamothioylamino]benzoic acid

Systemtic Name: 3-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamothioylamino]benzoic acid Openeye Name: 3-[(3-methoxycarbonyl-4,5-dimethyl-2-thienyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[(3-methoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamothioylamino]benzoic acid Traditional Name: 3-[(3-carbomethoxy-4,5-dimethyl-2-thienyl)thiocarbamoylamino]benzoic acid Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C16H16N2O4S2/c1-8-9(2)24-13(12(8)15(21)22-3)18-16(23)17-11-6-4-5-10(7-11)14(19)20/h4-7H,1-3H3,(H,19,20)(H2,17,18,23)