N-(4-chloranyl-3-methyl-phenyl)-2-(pyridin-4-ylmethylsulfanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-2-(pyridin-4-ylmethylsulfanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-2-(4-pyridylmethylsulfanyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylthio)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-2-(4-pyridylmethylthio)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H21ClN2OS2 MolecularWeight: 428.99794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(SC3=C2CCCC3)SCC4=CC=NC=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(SC3=C2CCCC3)SCC4=CC=NC=C4)Cl

InChI

InChI=1S/C22H21ClN2OS2/c1-14-12-16(6-7-18(14)23)25-21(26)20-17-4-2-3-5-19(17)28-22(20)27-13-15-8-10-24-11-9-15/h6-12H,2-5,13H2,1H3,(H,25,26)