N-[2-(2-cyanoethylsulfanyl)phenyl]-4-pentoxy-benzamide

Systemtic Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-pentoxy-benzamide Openeye Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-pentoxy-benzamide CAS Name: N-[2-(2-cyanoethylthio)phenyl]-4-pentoxybenzamide IUPAC Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[2-(2-cyanoethylthio)phenyl]benzamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCCC#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCCC#N

InChI

InChI=1S/C21H24N2O2S/c1-2-3-6-15-25-18-12-10-17(11-13-18)21(24)23-19-8-4-5-9-20(19)26-16-7-14-22/h4-5,8-13H,2-3,6-7,15-16H2,1H3,(H,23,24)