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

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2OS/c1-18-12-13-19(2)21(16-18)22(26)17-27-23(24-20-10-6-5-7-11-20)25-14-8-3-4-9-15-25/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3