ethyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-tert-butylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(4-tert-butylcyclohexyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-tert-butylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-tert-butylcyclohexyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H34N2O2S2 MolecularWeight: 458.67966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCC(CC3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCC(CC3)C(C)(C)C

InChI

InChI=1S/C25H34N2O2S2/c1-5-29-23(28)21-16-20(15-17-9-7-6-8-10-17)31-22(21)27-24(30)26-19-13-11-18(12-14-19)25(2,3)4/h6-10,16,18-19H,5,11-15H2,1-4H3,(H2,26,27,30)