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

Systemtic Name: dimethyl 3-methyl-5-[(4-propan-2-ylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(4-isopropylphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(4-propan-2-ylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(p-cumenylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S2/c1-10(2)12-6-8-13(9-7-12)20-19(26)21-16-14(17(22)24-4)11(3)15(27-16)18(23)25-5/h6-10H,1-5H3,(H2,20,21,26)