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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCC2=CC=C(C=C2)C(=O)O)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=CC=C(C=C2)C(=O)O)C(=O)OC

InChI

InChI=1S/C17H18N2O4S2/c1-3-12-8-13(16(22)23-2)14(25-12)19-17(24)18-9-10-4-6-11(7-5-10)15(20)21/h4-8H,3,9H2,1-2H3,(H,20,21)(H2,18,19,24)