[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS/c1-18-10-9-13-20(16-18)23-21(26)17-27-22(24-19-11-5-4-6-12-19)25-14-7-2-3-8-15-25/h4-6,9-13,16H,2-3,7-8,14-15,17H2,1H3,(H,23,26)