dimethyl 3-methyl-5-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[1-(4-isopropylphenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[1-(4-propan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(1-p-cumenylethylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S2/c1-11(2)14-7-9-15(10-8-14)13(4)22-21(28)23-18-16(19(24)26-5)12(3)17(29-18)20(25)27-6/h7-11,13H,1-6H3,(H2,22,23,28)