N-(2-dimethylaminoethyl)-N-[2-(phenylmethylsulfanyl)phenyl]-1-benzothiophene-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2OS2/c1-27(2)16-17-28(26(29)25-18-21-12-6-8-14-23(21)31-25)22-13-7-9-15-24(22)30-19-20-10-4-3-5-11-20/h3-15,18H,16-17,19H2,1-2H3