methyl 3-chloranyl-6-[(2-methylpyrazol-3-yl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2-methylpyrazol-3-yl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-methylpyrazol-3-yl)methylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(2-methyl-3-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-methylpyrazol-3-yl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2-methylpyrazol-3-yl)methylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H15ClN4O2S2 MolecularWeight: 394.8989

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)CNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CN1C(=CC=N1)CNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C16H15ClN4O2S2/c1-21-10(5-6-19-21)8-18-16(24)20-9-3-4-11-12(7-9)25-14(13(11)17)15(22)23-2/h3-7H,8H2,1-2H3,(H2,18,20,24)