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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-methoxyphenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(3-methoxyphenyl)-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(3-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C30H31N3O3S MolecularWeight: 513.65044

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O3S/c1-20-10-11-21(2)23(16-20)19-37-30-31-27-17-22(28(34)32-14-5-4-6-15-32)12-13-26(27)29(35)33(30)24-8-7-9-25(18-24)36-3/h7-13,16-18H,4-6,14-15,19H2,1-3H3