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

Systemtic Name: 3-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-(o-tolylmethylsulfanyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[(2-methylphenyl)methylthio]-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-2-[(2-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=C1CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCCC4)C(=O)N2C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCCC4)C(=O)N2C5=CC(=CC=C5)OC

InChI

InChI=1S/C29H29N3O3S/c1-20-9-4-5-10-22(20)19-36-29-30-26-17-21(27(33)31-15-6-3-7-16-31)13-14-25(26)28(34)32(29)23-11-8-12-24(18-23)35-2/h4-5,8-14,17-18H,3,6-7,15-16,19H2,1-2H3