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

Systemtic Name: ethyl 5-(phenylmethyl)-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[sulfanylidene-[(3,3,5-trimethylcyclohexyl)amino]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-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(=C1)CC2=CC=CC=C2)NC(=S)NC3CC(CC(C3)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CC(CC(C3)(C)C)C

InChI

InChI=1S/C24H32N2O2S2/c1-5-28-22(27)20-13-19(12-17-9-7-6-8-10-17)30-21(20)26-23(29)25-18-11-16(2)14-24(3,4)15-18/h6-10,13,16,18H,5,11-12,14-15H2,1-4H3,(H2,25,26,29)