N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-phenylsulfanyl-propanamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-phenylsulfanyl-propanamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-2-phenylsulfanyl-propanamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-2-(phenylthio)propanamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-2-phenylsulfanylpropanamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2-(phenylthio)propionamide Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1CCCCCC1=O)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NCCCN1CCCCCC1=O)SC2=CC=CC=C2

InChI

InChI=1S/C18H26N2O2S/c1-15(23-16-9-4-2-5-10-16)18(22)19-12-8-14-20-13-7-3-6-11-17(20)21/h2,4-5,9-10,15H,3,6-8,11-14H2,1H3,(H,19,22)