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

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C23H29N3OS MolecularWeight: 395.56086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3OS/c1-18-11-10-12-19(2)22(18)25-21(27)17-28-23(24-20-13-6-5-7-14-20)26-15-8-3-4-9-16-26/h5-7,10-14H,3-4,8-9,15-17H2,1-2H3,(H,25,27)