N-[2-(phenylmethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[2-(phenylmethylthio)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H21NOS2 MolecularWeight: 331.49544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C18H21NOS2/c20-18(16-13-22-17-9-5-4-8-15(16)17)19-10-11-21-12-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12H2,(H,19,20)