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

Systemtic Name: ethyl 5-phenyl-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene-[(3,3,5-trimethylcyclohexyl)amino]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[(3,3,5-trimethylcyclohexyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H30N2O2S2 MolecularWeight: 430.6265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2S2/c1-5-27-21(26)18-12-19(16-9-7-6-8-10-16)29-20(18)25-22(28)24-17-11-15(2)13-23(3,4)14-17/h6-10,12,15,17H,5,11,13-14H2,1-4H3,(H2,24,25,28)