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

Systemtic Name: 3-[(4-ethyl-3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thienyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(4-ethyl-3-methoxycarbonyl-5-methylthiophen-2-yl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(3-carbomethoxy-4-ethyl-5-methyl-2-thienyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S2/c1-5-12-10(3)26-15(14(12)17(23)24-4)20-18(25)19-13-8-11(16(21)22)7-6-9(13)2/h6-8H,5H2,1-4H3,(H,21,22)(H2,19,20,25)