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

Systemtic Name: N-[3-(methylamino)propyl]-N-[2-(phenylmethylsulfanyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-benzylsulfanylphenyl)-N-[3-(methylamino)propyl]benzothiophene-2-carboxamide CAS Name: N-[3-(methylamino)propyl]-N-[2-(phenylmethylthio)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-benzylsulfanylphenyl)-N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(benzylthio)phenyl]-N-[3-(methylamino)propyl]benzothiophene-2-carboxamide Formula: C26H26N2OS2 MolecularWeight: 446.62744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2OS2/c1-27-16-9-17-28(26(29)25-18-21-12-5-7-14-23(21)31-25)22-13-6-8-15-24(22)30-19-20-10-3-2-4-11-20/h2-8,10-15,18,27H,9,16-17,19H2,1H3