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

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-propylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-propylsulfanyl-3-(p-tolylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-(propylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-[(4-methylphenyl)methyl]-2-propylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-(4-methylbenzyl)-2-(propylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)C)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCSC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)C)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C28H32N2OS/c1-3-17-32-27-29-25-23-10-6-5-9-22(23)18-28(15-7-4-8-16-28)24(25)26(31)30(27)19-21-13-11-20(2)12-14-21/h5-6,9-14H,3-4,7-8,15-19H2,1-2H3