methyl 3-chloranyl-6-[[(2-ethylpyrazol-3-yl)methyl-methyl-carbamothioyl]amino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[(2-ethylpyrazol-3-yl)methyl-methyl-carbamothioyl]amino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(2-ethylpyrazol-3-yl)methyl-methyl-carbamothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(2-ethyl-3-pyrazolyl)methyl-methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(2-ethylpyrazol-3-yl)methyl-methylcarbamothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[(2-ethylpyrazol-3-yl)methyl-methyl-thiocarbamoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H19ClN4O2S2 MolecularWeight: 422.95206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O2S2/c1-4-23-12(7-8-20-23)10-22(2)18(26)21-11-5-6-13-14(9-11)27-16(15(13)19)17(24)25-3/h5-9H,4,10H2,1-3H3,(H,21,26)