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

Systemtic Name: methyl 2-[2-(4-chloranylpyrazol-1-yl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-chloropyrazol-1-yl)ethylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-chloro-1-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-chloropyrazol-1-yl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-chloropyrazol-1-yl)ethylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H19ClN4O2S2 MolecularWeight: 398.93066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCCN3C=C(C=N3)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCCN3C=C(C=N3)Cl

InChI

InChI=1S/C16H19ClN4O2S2/c1-23-15(22)13-11-4-2-3-5-12(11)25-14(13)20-16(24)18-6-7-21-9-10(17)8-19-21/h8-9H,2-7H2,1H3,(H2,18,20,24)