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

Systemtic Name: 3-(4-ethylphenyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(4-ethylphenyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(4-ethylphenyl)-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(4-ethylphenyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)N5CCCC5

InChI

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