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

Systemtic Name: dimethyl 3-methyl-5-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[sulfanylidene-[(3,3,5-trimethylcyclohexyl)amino]methyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(3,3,5-trimethylcyclohexyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H28N2O4S2 MolecularWeight: 412.56662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1CC(CC(C1)(C)C)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C19H28N2O4S2/c1-10-7-12(9-19(3,4)8-10)20-18(26)21-15-13(16(22)24-5)11(2)14(27-15)17(23)25-6/h10,12H,7-9H2,1-6H3,(H2,20,21,26)