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

Systemtic Name: 3-butyl-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-butyl-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-butyl-2-(phenacylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-butyl-2-(phenacylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C29H32N2O2S MolecularWeight: 472.64158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H32N2O2S/c1-2-3-18-31-27(33)25-26(30-28(31)34-20-24(32)21-12-6-4-7-13-21)23-15-9-8-14-22(23)19-29(25)16-10-5-11-17-29/h4,6-9,12-15H,2-3,5,10-11,16-20H2,1H3