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

Systemtic Name: 3-(4-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(4-methoxyphenyl)-2-(m-tolylmethylsulfanyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(4-methoxyphenyl)-2-[(3-methylphenyl)methylthio]-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(4-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(4-methoxyphenyl)-2-[(3-methylbenzyl)thio]-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C29H29N3O3S MolecularWeight: 499.62386

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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=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O3S/c1-20-7-6-8-21(17-20)19-36-29-30-26-18-22(27(33)31-15-4-3-5-16-31)9-14-25(26)28(34)32(29)23-10-12-24(35-2)13-11-23/h6-14,17-18H,3-5,15-16,19H2,1-2H3