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

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

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S2/c1-8-5-6-11(15(20)21)7-12(8)18-17(24)19-14-13(16(22)23-4)9(2)10(3)25-14/h5-7H,1-4H3,(H,20,21)(H2,18,19,24)