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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)C(=O)O)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)C(=O)O)C(=O)OC

InChI

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