2-[3-[2-(1-adamantyl)ethyl]-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-yl]ethanoate; (phenylmethyl)azanium

Systemtic Name: 2-[3-[2-(1-adamantyl)ethyl]-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-yl]ethanoate; (phenylmethyl)azanium Openeye Name: 2-[3-[2-(1-adamantyl)ethyl]-4-oxo-2-phenylimino-thiazolidin-5-yl]acetate; benzylammonium CAS Name: 2-[3-[2-(1-adamantyl)ethyl]-4-oxo-2-phenylimino-5-thiazolidinyl]acetate; (phenylmethyl)ammonium IUPAC Name: 2-[3-[2-(1-adamantyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetate; benzylazanium Traditional Name: 2-[3-[2-(1-adamantyl)ethyl]-4-keto-2-phenylimino-thiazolidin-5-yl]acetate; benzylammonium Formula: C30H37N3O3S MolecularWeight: 519.69808

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCN4C(=O)C(SC4=NC5=CC=CC=C5)CC(=O)[O-].C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCN4C(=O)C(SC4=NC5=CC=CC=C5)CC(=O)[O-].C1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C23H28N2O3S.C7H9N/c26-20(27)11-19-21(28)25(22(29-19)24-18-4-2-1-3-5-18)7-6-23-12-15-8-16(13-23)10-17(9-15)14-23;8-6-7-4-2-1-3-5-7/h1-5,15-17,19H,6-14H2,(H,26,27);1-5H,6,8H2