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

Systemtic Name: methyl 3-chloranyl-6-[1-(1-ethyl-5-methyl-pyrazol-4-yl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[1-(1-ethyl-5-methyl-pyrazol-4-yl)ethylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[1-(1-ethyl-5-methyl-4-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[1-(1-ethyl-5-methyl-pyrazol-4-yl)ethylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H21ClN4O2S2 MolecularWeight: 436.97864

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

Isomeric SMILES

CCN1C(=C(C=N1)C(C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

InChI

InChI=1S/C19H21ClN4O2S2/c1-5-24-11(3)14(9-21-24)10(2)22-19(27)23-12-6-7-13-15(8-12)28-17(16(13)20)18(25)26-4/h6-10H,5H2,1-4H3,(H2,22,23,27)