2-(2-methylprop-2-enylsulfanyl)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-(2-methylprop-2-enylsulfanyl)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-(2-methylallylsulfanyl)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(2-methylprop-2-enylthio)-3-phenethyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-(2-methylprop-2-enylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(2-methylallylthio)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C29H32N2OS MolecularWeight: 456.64218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(=C)CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C29H32N2OS/c1-21(2)20-33-28-30-26-24-14-8-7-13-23(24)19-29(16-9-4-10-17-29)25(26)27(32)31(28)18-15-22-11-5-3-6-12-22/h3,5-8,11-14H,1,4,9-10,15-20H2,2H3