2-(4-oxidanylidene-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylethanamide

Systemtic Name: 2-(4-oxidanylidene-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylethanamide Openeye Name: 2-(4-oxo-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetamide CAS Name: 2-[(4-oxo-3-phenethyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]yl)thio]acetamide IUPAC Name: 2-(4-oxo-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)thio]acetamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)N)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)N)CCC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O2S/c27-21(30)17-32-25-28-23-20-11-5-4-10-19(20)16-26(13-6-7-14-26)22(23)24(31)29(25)15-12-18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2,(H2,27,30)