[2-(4-methylphenyl)-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2OS/c1-18-11-13-19(14-12-18)21(25)17-26-22(23-20-9-5-4-6-10-20)24-15-7-2-3-8-16-24/h4-6,9-14H,2-3,7-8,15-17H2,1H3