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

Systemtic Name: diethyl 5-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[1-(4-sec-butylphenyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-(4-butan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[1-(4-sec-butylphenyl)ethylthiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H32N2O4S2 MolecularWeight: 476.65188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C24H32N2O4S2/c1-7-14(4)17-10-12-18(13-11-17)16(6)25-24(31)26-21-19(22(27)29-8-2)15(5)20(32-21)23(28)30-9-3/h10-14,16H,7-9H2,1-6H3,(H2,25,26,31)