3,5-dimethyl-2-[[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonylphenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3,5-dimethyl-2-[[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3,5-dimethyl-2-[[4-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3,5-dimethyl-2-[[4-[oxo-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3,5-dimethyl-2-[[4-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3,5-dimethyl-2-[[4-[4-(2-pyrrolidinoethoxy)benzoyl]benzyl]thio]quinazolin-4-one Formula: C30H31N3O3S MolecularWeight: 513.65044

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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)OCCN5CCCC5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C30H31N3O3S/c1-21-6-5-7-26-27(21)29(35)32(2)30(31-26)37-20-22-8-10-23(11-9-22)28(34)24-12-14-25(15-13-24)36-19-18-33-16-3-4-17-33/h5-15H,3-4,16-20H2,1-2H3