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

Systemtic Name: 2-(4-oxidanylidene-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylethanamide Openeye Name: 2-(4-oxo-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide CAS Name: 2-[(4-oxo-3-phenethyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]acetamide IUPAC Name: 2-(4-oxo-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]acetamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)N)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)N)CCC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2S/c28-22(31)18-33-26-29-24-21-12-6-5-11-20(21)17-27(14-7-2-8-15-27)23(24)25(32)30(26)16-13-19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2,(H2,28,31)