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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCC2=CC=C(C=C2)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCC2=CC=C(C=C2)C(=O)O)C(=O)OC

InChI

InChI=1S/C16H16N2O4S2/c1-9-7-12(15(21)22-2)13(24-9)18-16(23)17-8-10-3-5-11(6-4-10)14(19)20/h3-7H,8H2,1-2H3,(H,19,20)(H2,17,18,23)