methyl (6S)-2-[[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6S)-2-[[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-2-[[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[[(1-ethyl-5-methyl-4-pyrazolyl)methyl-methylamino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-2-[[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-thiocarbamoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H28N4O2S2 MolecularWeight: 420.59192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN(C)C(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C=N1)CN(C)C(=S)NC2=C(C3=C(S2)C[C@H](CC3)C)C(=O)OC)C

InChI

InChI=1S/C20H28N4O2S2/c1-6-24-13(3)14(10-21-24)11-23(4)20(27)22-18-17(19(25)26-5)15-8-7-12(2)9-16(15)28-18/h10,12H,6-9,11H2,1-5H3,(H,22,27)/t12-/m0/s1