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

Systemtic Name: methyl 3-chloranyl-6-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(1-ethyl-3-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1-ethyl-3-methylpyrazol-4-yl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1-ethyl-3-methyl-pyrazol-4-yl)methylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H19ClN4O2S2 MolecularWeight: 422.95206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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