3-(3,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-(m-tolylmethylsulfanyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(3-methylphenyl)methylthio]-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(3-methylbenzyl)thio]-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C30H31N3O2S MolecularWeight: 497.65104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCCC4)C(=O)N2C5=CC(=CC(=C5)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCCC4)C(=O)N2C5=CC(=CC(=C5)C)C

InChI

InChI=1S/C30H31N3O2S/c1-20-8-7-9-23(15-20)19-36-30-31-27-18-24(28(34)32-12-5-4-6-13-32)10-11-26(27)29(35)33(30)25-16-21(2)14-22(3)17-25/h7-11,14-18H,4-6,12-13,19H2,1-3H3