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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3CC(CC(C3)(C)C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3CC(CC(C3)(C)C)C

InChI

InChI=1S/C21H32N2O2S2/c1-12-6-7-15-16(9-12)27-18(17(15)19(24)25-5)23-20(26)22-14-8-13(2)10-21(3,4)11-14/h12-14H,6-11H2,1-5H3,(H2,22,23,26)