2-oxidanylidenepropyl N-phenylazepane-1-carboximidothioate

Systemtic Name: 2-oxidanylidenepropyl N-phenylazepane-1-carboximidothioate Openeye Name: acetonyl N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid acetonyl ester Formula: C16H22N2OS MolecularWeight: 290.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC(=NC1=CC=CC=C1)N2CCCCCC2

Isomeric SMILES

CC(=O)CSC(=NC1=CC=CC=C1)N2CCCCCC2

InChI

InChI=1S/C16H22N2OS/c1-14(19)13-20-16(17-15-9-5-4-6-10-15)18-11-7-2-3-8-12-18/h4-6,9-10H,2-3,7-8,11-13H2,1H3