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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylthio]-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(3,5-dimethylphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C31H33N3O2S MolecularWeight: 511.67762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33N3O2S/c1-20-8-9-23(4)25(15-20)19-37-31-32-28-18-24(29(35)33-12-6-5-7-13-33)10-11-27(28)30(36)34(31)26-16-21(2)14-22(3)17-26/h8-11,14-18H,5-7,12-13,19H2,1-4H3