(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) N-phenylazepane-1-carboximidothioate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) N-phenylazepane-1-carboximidothioate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C19H27N3OS MolecularWeight: 345.50218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)N3CCCC3

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)N3CCCC3

InChI

InChI=1S/C19H27N3OS/c23-18(21-12-8-9-13-21)16-24-19(20-17-10-4-3-5-11-17)22-14-6-1-2-7-15-22/h3-5,10-11H,1-2,6-9,12-16H2