methyl 3-chloranyl-6-[(1,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(1,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(1,5-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H17ClN4O2S2 MolecularWeight: 408.92548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=NN1C)CNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C17H17ClN4O2S2/c1-9-10(8-20-22(9)2)7-19-17(25)21-11-4-5-12-13(6-11)26-15(14(12)18)16(23)24-3/h4-6,8H,7H2,1-3H3,(H2,19,21,25)