[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-oxidanylidene-2-(pyridin-2-ylamino)ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-oxo-2-(2-pyridylamino)ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-oxo-2-(2-pyridinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyridin-2-ylamino)ethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-keto-2-(2-pyridylamino)ethyl] ester Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC=N3

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC=N3

InChI

InChI=1S/C20H24N4OS/c25-19(23-18-12-6-7-13-21-18)16-26-20(22-17-10-4-3-5-11-17)24-14-8-1-2-9-15-24/h3-7,10-13H,1-2,8-9,14-16H2,(H,21,23,25)