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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[2-(p-tolylsulfanyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[2-(p-tolylthio)ethyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H21NOS2 MolecularWeight: 331.49544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CSC3=C2CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CSC3=C2CCCC3

InChI

InChI=1S/C18H21NOS2/c1-13-6-8-14(9-7-13)21-11-10-19-18(20)16-12-22-17-5-3-2-4-15(16)17/h6-9,12H,2-5,10-11H2,1H3,(H,19,20)