phenacyl N-phenylazepane-1-carboximidothioate

Systemtic Name: phenacyl N-phenylazepane-1-carboximidothioate Openeye Name: phenacyl N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid phenacyl ester IUPAC Name: phenacyl N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid phenacyl ester Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2OS/c24-20(18-11-5-3-6-12-18)17-25-21(22-19-13-7-4-8-14-19)23-15-9-1-2-10-16-23/h3-8,11-14H,1-2,9-10,15-17H2