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

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(2-naphthylamino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-keto-2-(2-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=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC4=CC=CC=C4C=C3

InChI

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