2-butylsulfanyl-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-butylsulfanyl-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-butylsulfanyl-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(butylthio)-3-phenethyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-butylsulfanyl-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(butylthio)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C29H34N2OS MolecularWeight: 458.65806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C29H34N2OS/c1-2-3-20-33-28-30-26-24-15-9-8-14-23(24)21-29(17-10-5-11-18-29)25(26)27(32)31(28)19-16-22-12-6-4-7-13-22/h4,6-9,12-15H,2-3,5,10-11,16-21H2,1H3