(2-morpholin-4-yl-2-oxidanylidene-ethyl) N-phenylazepane-1-carboximidothioate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) N-phenylazepane-1-carboximidothioate Openeye Name: (2-morpholino-2-oxo-ethyl) N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid (2-keto-2-morpholino-ethyl) ester Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)N3CCOCC3

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)N3CCOCC3

InChI

InChI=1S/C19H27N3O2S/c23-18(21-12-14-24-15-13-21)16-25-19(20-17-8-4-3-5-9-17)22-10-6-1-2-7-11-22/h3-5,8-9H,1-2,6-7,10-16H2