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

Systemtic Name: 4-[[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[[3,5-bis(methoxycarbonyl)-4-methyl-2-thienyl]carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[[3,5-bis(methoxycarbonyl)-4-methyl-2-thiophenyl]amino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(3,5-dicarbomethoxy-4-methyl-2-thienyl)thiocarbamoylamino]methyl]benzoic acid Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S2/c1-9-12(16(23)25-2)14(28-13(9)17(24)26-3)20-18(27)19-8-10-4-6-11(7-5-10)15(21)22/h4-7H,8H2,1-3H3,(H,21,22)(H2,19,20,27)