methyl 3-chloranyl-6-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(1-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1-methylpyrazol-4-yl)methylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H15ClN4O2S2 MolecularWeight: 394.8989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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