methyl 6-methyl-2-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-isopropylphenoxy)acetyl]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[2-(2-propan-2-ylphenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-isopropylphenoxy)acetyl]thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H28N2O4S2 MolecularWeight: 460.60942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC(=O)COC3=CC=CC=C3C(C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC(=O)COC3=CC=CC=C3C(C)C

InChI

InChI=1S/C23H28N2O4S2/c1-13(2)15-7-5-6-8-17(15)29-12-19(26)24-23(30)25-21-20(22(27)28-4)16-10-9-14(3)11-18(16)31-21/h5-8,13-14H,9-12H2,1-4H3,(H2,24,25,26,30)