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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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