methyl 3-chloranyl-6-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4,6-dimethyl-2-pyridyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(4,6-dimethyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4,6-dimethyl-2-pyridyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

InChI

InChI=1S/C18H16ClN3O2S2/c1-9-6-10(2)20-14(7-9)22-18(25)21-11-4-5-12-13(8-11)26-16(15(12)19)17(23)24-3/h4-8H,1-3H3,(H2,20,21,22,25)