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

Systemtic Name: methyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylthiocarbamoylamino]-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)CNC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S2/c1-6-24-13(4)15(12(3)23-24)10-21-20(27)22-18-17(19(25)26-5)14-8-7-11(2)9-16(14)28-18/h11H,6-10H2,1-5H3,(H2,21,22,27)