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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=C(C=C(S2)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=C(C=C(S2)C)C(=O)OC

InChI

InChI=1S/C16H16N2O4S2/c1-8-4-5-10(14(19)20)7-12(8)17-16(23)18-13-11(15(21)22-3)6-9(2)24-13/h4-7H,1-3H3,(H,19,20)(H2,17,18,23)