2-[(4-methoxy-2-methyl-5-propan-2-yl-phenyl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[(4-methoxy-2-methyl-5-propan-2-yl-phenyl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(5-isopropyl-4-methoxy-2-methyl-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[(5-isopropyl-4-methoxy-2-methyl-benzyl)thio]quinazolin-4-one Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(C)C)OC

InChI

InChI=1S/C27H28N2O2S/c1-18(2)23-15-21(19(3)14-25(23)31-4)17-32-27-28-24-13-9-8-12-22(24)26(30)29(27)16-20-10-6-5-7-11-20/h5-15,18H,16-17H2,1-4H3