ethyl 2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[sulfanylidene-[(3,3,5-trimethylcyclohexyl)amino]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3,3,5-trimethylcyclohexyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H32N2O2S2 MolecularWeight: 408.62098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3CC(CC(C3)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3CC(CC(C3)(C)C)C

InChI

InChI=1S/C21H32N2O2S2/c1-5-25-19(24)17-15-8-6-7-9-16(15)27-18(17)23-20(26)22-14-10-13(2)11-21(3,4)12-14/h13-14H,5-12H2,1-4H3,(H2,22,23,26)