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

Systemtic Name: diethyl 3-methyl-5-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(C)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(C)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C23H30N2O4S2/c1-7-28-21(26)18-14(5)19(22(27)29-8-2)31-20(18)25-23(30)24-15(6)17-11-9-16(10-12-17)13(3)4/h9-13,15H,7-8H2,1-6H3,(H2,24,25,30)