[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid (2-cumidino-2-keto-ethyl) ester Formula: C24H31N3OS MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3

InChI

InChI=1S/C24H31N3OS/c1-19(2)20-12-14-22(15-13-20)25-23(28)18-29-24(26-21-10-6-5-7-11-21)27-16-8-3-4-9-17-27/h5-7,10-15,19H,3-4,8-9,16-18H2,1-2H3,(H,25,28)