7-chloranyl-3-prop-2-enyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-prop-2-enyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-3-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]quinazolin-4-one Formula: C23H22ClN3O2S MolecularWeight: 439.95768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C23H22ClN3O2S/c1-2-11-27-22(29)19-10-9-18(24)14-20(19)25-23(27)30-15-16-5-7-17(8-6-16)21(28)26-12-3-4-13-26/h2,5-10,14H,1,3-4,11-13,15H2