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

Systemtic Name: [2-(diphenylamino)-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-oxo-2-(N-phenylanilino)ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-oxo-2-(N-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-phenylanilino)ethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-keto-2-(N-phenylanilino)ethyl] ester Formula: C27H29N3OS MolecularWeight: 443.60366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3OS/c31-26(30(24-16-8-4-9-17-24)25-18-10-5-11-19-25)22-32-27(28-23-14-6-3-7-15-23)29-20-12-1-2-13-21-29/h3-11,14-19H,1-2,12-13,20-22H2