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

Systemtic Name: 2-(4-oxidanylidene-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-(4-oxo-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(4-oxo-3-phenethyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]-N-phenethylacetamide IUPAC Name: 2-(4-oxo-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(4-keto-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]-N-phenethyl-acetamide Formula: C35H37N3O2S MolecularWeight: 563.75218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)NCCC5=CC=CC=C5)CCC6=CC=CC=C6

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)NCCC5=CC=CC=C5)CCC6=CC=CC=C6

InChI

InChI=1S/C35H37N3O2S/c39-30(36-22-18-26-12-4-1-5-13-26)25-41-34-37-32-29-17-9-8-16-28(29)24-35(20-10-3-11-21-35)31(32)33(40)38(34)23-19-27-14-6-2-7-15-27/h1-2,4-9,12-17H,3,10-11,18-25H2,(H,36,39)