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

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-(o-tolylmethylsulfanyl)-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[(2-methylphenyl)methylthio]-3-propyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-[(2-methylbenzyl)thio]-3-propyl-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:

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC=C5C

Isomeric SMILES

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC=C5C

InChI

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