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

Systemtic Name: methyl 3-chloranyl-6-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H19ClN4O2S2 MolecularWeight: 422.95206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O2S2/c1-5-23-10(3)15(9(2)22-23)21-18(26)20-11-6-7-12-13(8-11)27-16(14(12)19)17(24)25-4/h6-8H,5H2,1-4H3,(H2,20,21,26)