dimethyl 2-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methyl-thiophen-2-yl]carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methyl-thiophen-2-yl]carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methyl-2-thienyl]carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[[5-[dimethylamino(oxo)methyl]-3-methoxycarbonyl-4-methyl-2-thiophenyl]amino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methylthiophen-2-yl]carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[[3-carbomethoxy-5-(dimethylcarbamoyl)-4-methyl-2-thienyl]thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H23N3O7S2 MolecularWeight: 493.55322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7S2/c1-10-14(20(28)31-6)16(33-15(10)17(25)24(2)3)23-21(32)22-13-9-11(18(26)29-4)7-8-12(13)19(27)30-5/h7-9H,1-6H3,(H2,22,23,32)