[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C24H31N3OS MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3)C

InChI

InChI=1S/C24H31N3OS/c1-3-20-13-11-12-19(2)23(20)26-22(28)18-29-24(25-21-14-7-6-8-15-21)27-16-9-4-5-10-17-27/h6-8,11-15H,3-5,9-10,16-18H2,1-2H3,(H,26,28)