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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3

InChI

InChI=1S/C22H26N2O2S/c1-26-20-13-11-18(12-14-20)21(25)17-27-22(23-19-9-5-4-6-10-19)24-15-7-2-3-8-16-24/h4-6,9-14H,2-3,7-8,15-17H2,1H3