2-(azepan-1-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]ethanamide

Systemtic Name: 2-(azepan-1-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-(azepan-1-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]acetamide CAS Name: 2-(1-azepanyl)-N-[2-[(2-cyanophenyl)methylthio]ethyl]acetamide IUPAC Name: 2-(azepan-1-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-(azepan-1-yl)-N-[2-[(2-cyanobenzyl)thio]ethyl]acetamide Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

C1CCCN(CC1)CC(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C18H25N3OS/c19-13-16-7-3-4-8-17(16)15-23-12-9-20-18(22)14-21-10-5-1-2-6-11-21/h3-4,7-8H,1-2,5-6,9-12,14-15H2,(H,20,22)