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

Systemtic Name: diethyl 5-[(4-tert-butylcyclohexyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 5-[(4-tert-butylcyclohexyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-tert-butylcyclohexyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H34N2O4S2 MolecularWeight: 454.64636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CCC(CC2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CCC(CC2)C(C)(C)C

InChI

InChI=1S/C22H34N2O4S2/c1-7-27-19(25)16-13(3)17(20(26)28-8-2)30-18(16)24-21(29)23-15-11-9-14(10-12-15)22(4,5)6/h14-15H,7-12H2,1-6H3,(H2,23,24,29)