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

Systemtic Name: 3-(4-methylphenyl)-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-phenacylsulfanyl-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(4-methylphenyl)-2-(phenacylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(4-methylphenyl)-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(phenacylthio)-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C32H30N2O2S MolecularWeight: 506.6578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C32H30N2O2S/c1-22-14-16-25(17-15-22)34-30(36)28-29(33-31(34)37-21-27(35)23-10-4-2-5-11-23)26-13-7-6-12-24(26)20-32(28)18-8-3-9-19-32/h2,4-7,10-17H,3,8-9,18-21H2,1H3