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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)C(=O)O)C

InChI

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