diethyl 5-[bis(2-methylpropyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[bis(2-methylpropyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(diisobutylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[bis(2-methylpropyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[bis(2-methylpropyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(diisobutylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H32N2O4S2 MolecularWeight: 428.60908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O4S2/c1-8-25-18(23)15-14(7)16(19(24)26-9-2)28-17(15)21-20(27)22(10-12(3)4)11-13(5)6/h12-13H,8-11H2,1-7H3,(H,21,27)