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

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

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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(=O)OC)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S2/c1-8-5-6-10(15(21)22)7-11(8)19-18(27)20-14-12(16(23)25-3)9(2)13(28-14)17(24)26-4/h5-7H,1-4H3,(H,21,22)(H2,19,20,27)