[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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