N-[3-(dimethylamino)propyl]-N-[2-(phenylmethylsulfanyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-[2-(phenylmethylsulfanyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-benzylsulfanylphenyl)-N-[3-(dimethylamino)propyl]benzothiophene-2-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-N-[2-(phenylmethylthio)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-benzylsulfanylphenyl)-N-[3-(dimethylamino)propyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(benzylthio)phenyl]-N-[3-(dimethylamino)propyl]benzothiophene-2-carboxamide Formula: C27H28N2OS2 MolecularWeight: 460.65402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2OS2/c1-28(2)17-10-18-29(27(30)26-19-22-13-6-8-15-24(22)32-26)23-14-7-9-16-25(23)31-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3