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

Systemtic Name: 3-[[5-(diethylcarbamoyl)-3-methoxycarbonyl-4-methyl-thiophen-2-yl]carbamothioylamino]benzoic acid Openeye Name: 3-[[5-(diethylcarbamoyl)-3-methoxycarbonyl-4-methyl-2-thienyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[5-[diethylamino(oxo)methyl]-3-methoxycarbonyl-4-methyl-2-thiophenyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[5-(diethylcarbamoyl)-3-methoxycarbonyl-4-methylthiophen-2-yl]carbamothioylamino]benzoic acid Traditional Name: 3-[[3-carbomethoxy-5-(diethylcarbamoyl)-4-methyl-2-thienyl]thiocarbamoylamino]benzoic acid Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC(=C2)C(=O)O)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC(=C2)C(=O)O)C(=O)OC)C

InChI

InChI=1S/C20H23N3O5S2/c1-5-23(6-2)17(24)15-11(3)14(19(27)28-4)16(30-15)22-20(29)21-13-9-7-8-12(10-13)18(25)26/h7-10H,5-6H2,1-4H3,(H,25,26)(H2,21,22,29)