ethyl 5-methyl-4-phenyl-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[sulfanylidene-[(3,3,5-trimethylcyclohexyl)amino]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(3,3,5-trimethylcyclohexyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H32N2O2S2 MolecularWeight: 444.65308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3CC(CC(C3)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3CC(CC(C3)(C)C)C

InChI

InChI=1S/C24H32N2O2S2/c1-6-28-22(27)20-19(17-10-8-7-9-11-17)16(3)30-21(20)26-23(29)25-18-12-15(2)13-24(4,5)14-18/h7-11,15,18H,6,12-14H2,1-5H3,(H2,25,26,29)