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

Systemtic Name: 4-[(4-ethyl-3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamothioylamino]benzoic acid Openeye Name: 4-[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thienyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(4-ethyl-3-methoxycarbonyl-5-methylthiophen-2-yl)carbamothioylamino]benzoic acid Traditional Name: 4-[(3-carbomethoxy-4-ethyl-5-methyl-2-thienyl)thiocarbamoylamino]benzoic acid Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C17H18N2O4S2/c1-4-12-9(2)25-14(13(12)16(22)23-3)19-17(24)18-11-7-5-10(6-8-11)15(20)21/h5-8H,4H2,1-3H3,(H,20,21)(H2,18,19,24)