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

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H27N3OS/c29-24(27-23-16-10-12-20-11-6-7-15-22(20)23)19-30-25(26-21-13-4-3-5-14-21)28-17-8-1-2-9-18-28/h3-7,10-16H,1-2,8-9,17-19H2,(H,27,29)