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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

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