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

Systemtic Name: methyl (6S)-2-[[(1-ethylpyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-2-[[(1-ethylpyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[[(1-ethyl-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-ethylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[[(1-ethylpyrazol-4-yl)methyl-methyl-thiocarbamoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H26N4O2S2 MolecularWeight: 406.56534

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2S2/c1-5-23-11-13(9-20-23)10-22(3)19(26)21-17-16(18(24)25-4)14-7-6-12(2)8-15(14)27-17/h9,11-12H,5-8,10H2,1-4H3,(H,21,26)/t12-/m0/s1