2-[[4-[4-(dimethylaminomethyl)phenyl]carbonylphenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one

Systemtic Name: 2-[[4-[4-(dimethylaminomethyl)phenyl]carbonylphenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one Openeye Name: 2-[[4-[4-(dimethylaminomethyl)benzoyl]phenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one CAS Name: 2-[[4-[[4-(dimethylaminomethyl)phenyl]-oxomethyl]phenyl]methylthio]-3,5-dimethyl-4-quinazolinone IUPAC Name: 2-[[4-[4-(dimethylaminomethyl)benzoyl]phenyl]methylsulfanyl]-3,5-dimethylquinazolin-4-one Traditional Name: 2-[[4-[4-(dimethylaminomethyl)benzoyl]benzyl]thio]-3,5-dimethyl-quinazolin-4-one Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)CN(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)CN(C)C

InChI

InChI=1S/C27H27N3O2S/c1-18-6-5-7-23-24(18)26(32)30(4)27(28-23)33-17-20-10-14-22(15-11-20)25(31)21-12-8-19(9-13-21)16-29(2)3/h5-15H,16-17H2,1-4H3