2-octyl-N-(phenylmethylsulfanyl)cyclopentene-1-carboxamide

Systemtic Name: 2-octyl-N-(phenylmethylsulfanyl)cyclopentene-1-carboxamide Openeye Name: N-benzylsulfanyl-2-octyl-cyclopentene-1-carboxamide CAS Name: 2-octyl-N-(phenylmethylthio)-1-cyclopentenecarboxamide IUPAC Name: N-benzylsulfanyl-2-octylcyclopentene-1-carboxamide Traditional Name: N-(benzylthio)-2-octyl-cyclopentene-1-carboxamide Formula: C21H31NOS MolecularWeight: 345.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(CCC1)C(=O)NSCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=C(CCC1)C(=O)NSCC2=CC=CC=C2

InChI

InChI=1S/C21H31NOS/c1-2-3-4-5-6-10-14-19-15-11-16-20(19)21(23)22-24-17-18-12-8-7-9-13-18/h7-9,12-13H,2-6,10-11,14-17H2,1H3,(H,22,23)