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

Systemtic Name: dimethyl 5-[(4-tert-butylcyclohexyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(4-tert-butylcyclohexyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(4-tert-butylcyclohexyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-tert-butylcyclohexyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-tert-butylcyclohexyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H30N2O4S2 MolecularWeight: 426.5932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2CCC(CC2)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2CCC(CC2)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C20H30N2O4S2/c1-11-14(17(23)25-5)16(28-15(11)18(24)26-6)22-19(27)21-13-9-7-12(8-10-13)20(2,3)4/h12-13H,7-10H2,1-6H3,(H2,21,22,27)