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

Systemtic Name: methyl 2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H30N2O2S2 MolecularWeight: 394.5944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CC1CC(CC(C1)(C)C)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C20H30N2O2S2/c1-12-9-13(11-20(2,3)10-12)21-19(25)22-17-16(18(23)24-4)14-7-5-6-8-15(14)26-17/h12-13H,5-11H2,1-4H3,(H2,21,22,25)