3-(3,4-dimethylphenyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,4-dimethylphenyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,4-dimethylphenyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,4-dimethylphenyl)-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethylphenyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,4-dimethylphenyl)-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]quinazolin-4-one Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)N5CCCC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)N5CCCC5)C

InChI

InChI=1S/C28H27N3O2S/c1-19-9-14-23(17-20(19)2)31-27(33)24-7-3-4-8-25(24)29-28(31)34-18-21-10-12-22(13-11-21)26(32)30-15-5-6-16-30/h3-4,7-14,17H,5-6,15-16,18H2,1-2H3