1-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]-4-phenyl-3,4-dihydroquinazolin-2-one

Systemtic Name: 1-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]-4-phenyl-3,4-dihydroquinazolin-2-one Openeye Name: 1-[1-[(3-methylsulfanylphenyl)methyl]-4-piperidyl]-4-phenyl-3,4-dihydroquinazolin-2-one CAS Name: 1-[1-[[3-(methylthio)phenyl]methyl]-4-piperidinyl]-4-phenyl-3,4-dihydroquinazolin-2-one IUPAC Name: 1-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]-4-phenyl-3,4-dihydroquinazolin-2-one Traditional Name: 1-[1-[3-(methylthio)benzyl]-4-piperidyl]-4-phenyl-3,4-dihydroquinazolin-2-one Formula: C27H29N3OS MolecularWeight: 443.60366

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CN2CCC(CC2)N3C4=CC=CC=C4C(NC3=O)C5=CC=CC=C5

Isomeric SMILES

CSC1=CC=CC(=C1)CN2CCC(CC2)N3C4=CC=CC=C4C(NC3=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3OS/c1-32-23-11-7-8-20(18-23)19-29-16-14-22(15-17-29)30-25-13-6-5-12-24(25)26(28-27(30)31)21-9-3-2-4-10-21/h2-13,18,22,26H,14-17,19H2,1H3,(H,28,31)