[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid (2-keto-2-mesidino-ethyl) ester Formula: C24H31N3OS MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3)C

InChI

InChI=1S/C24H31N3OS/c1-18-15-19(2)23(20(3)16-18)26-22(28)17-29-24(25-21-11-7-6-8-12-21)27-13-9-4-5-10-14-27/h6-8,11-12,15-16H,4-5,9-10,13-14,17H2,1-3H3,(H,26,28)