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

Systemtic Name: 3-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methyl-thiophen-2-yl]carbamothioylamino]benzoic acid Openeye Name: 3-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methyl-2-thienyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[5-[dimethylamino(oxo)methyl]-3-methoxycarbonyl-4-methyl-2-thiophenyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methylthiophen-2-yl]carbamothioylamino]benzoic acid Traditional Name: 3-[[3-carbomethoxy-5-(dimethylcarbamoyl)-4-methyl-2-thienyl]thiocarbamoylamino]benzoic acid Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(=O)O)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(=O)O)C(=O)N(C)C

InChI

InChI=1S/C18H19N3O5S2/c1-9-12(17(25)26-4)14(28-13(9)15(22)21(2)3)20-18(27)19-11-7-5-6-10(8-11)16(23)24/h5-8H,1-4H3,(H,23,24)(H2,19,20,27)