[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate CAS Name: 4-(1H-benzimidazol-2-ylthio)butanoic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1H-benzimidazol-2-ylthio)butyric acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)CCCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)CCCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H21N3O3S/c27-21(24-18-12-5-8-16-7-1-2-9-17(16)18)15-29-22(28)13-6-14-30-23-25-19-10-3-4-11-20(19)26-23/h1-5,7-12H,6,13-15H2,(H,24,27)(H,25,26)