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

Systemtic Name: methyl 3-chloranyl-6-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H21ClN4O2S2 MolecularWeight: 436.97864

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O2S2/c1-5-24-11(3)14(10(2)23-24)9-21-19(27)22-12-6-7-13-15(8-12)28-17(16(13)20)18(25)26-4/h6-8H,5,9H2,1-4H3,(H2,21,22,27)