N-[4-(dimethylamino)butyl]-N-[2-(phenylmethylsulfanyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(dimethylamino)butyl]-N-[2-(phenylmethylsulfanyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-benzylsulfanylphenyl)-N-[4-(dimethylamino)butyl]benzothiophene-2-carboxamide CAS Name: N-[4-(dimethylamino)butyl]-N-[2-(phenylmethylthio)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-benzylsulfanylphenyl)-N-[4-(dimethylamino)butyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(benzylthio)phenyl]-N-[4-(dimethylamino)butyl]benzothiophene-2-carboxamide Formula: C28H30N2OS2 MolecularWeight: 474.6806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCN(C1=CC=CC=C1SCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CN(C)CCCCN(C1=CC=CC=C1SCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C28H30N2OS2/c1-29(2)18-10-11-19-30(28(31)27-20-23-14-6-8-16-25(23)33-27)24-15-7-9-17-26(24)32-21-22-12-4-3-5-13-22/h3-9,12-17,20H,10-11,18-19,21H2,1-2H3