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

Systemtic Name: 3-[[5-(diethylcarbamoyl)-3-methoxycarbonyl-4-methyl-thiophen-2-yl]carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[[5-(diethylcarbamoyl)-3-methoxycarbonyl-4-methyl-2-thienyl]carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[5-[diethylamino(oxo)methyl]-3-methoxycarbonyl-4-methyl-2-thiophenyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[5-(diethylcarbamoyl)-3-methoxycarbonyl-4-methylthiophen-2-yl]carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[[3-carbomethoxy-5-(diethylcarbamoyl)-4-methyl-2-thienyl]thiocarbamoylamino]-4-methyl-benzoic acid Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S2/c1-6-24(7-2)18(25)16-12(4)15(20(28)29-5)17(31-16)23-21(30)22-14-10-13(19(26)27)9-8-11(14)3/h8-10H,6-7H2,1-5H3,(H,26,27)(H2,22,23,30)