2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl N-phenylazepane-1-carboximidothioate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl N-phenylazepane-1-carboximidothioate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid 2-phthalimidoethyl ester Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O2S/c27-21-19-12-6-7-13-20(19)22(28)26(21)16-17-29-23(24-18-10-4-3-5-11-18)25-14-8-1-2-9-15-25/h3-7,10-13H,1-2,8-9,14-17H2