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

Systemtic Name: 2-[[4-[2-(2-chloroethyloxy)phenyl]carbonylphenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one Openeye Name: 2-[[4-[2-(2-chloroethoxy)benzoyl]phenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one CAS Name: 2-[[4-[[2-(2-chloroethoxy)phenyl]-oxomethyl]phenyl]methylthio]-3,5-dimethyl-4-quinazolinone IUPAC Name: 2-[[4-[2-(2-chloroethoxy)benzoyl]phenyl]methylsulfanyl]-3,5-dimethylquinazolin-4-one Traditional Name: 2-[[4-[2-(2-chloroethoxy)benzoyl]benzyl]thio]-3,5-dimethyl-quinazolin-4-one Formula: C26H23ClN2O3S MolecularWeight: 478.99042

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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=CC=C4OCCCl

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=CC=C4OCCCl

InChI

InChI=1S/C26H23ClN2O3S/c1-17-6-5-8-21-23(17)25(31)29(2)26(28-21)33-16-18-10-12-19(13-11-18)24(30)20-7-3-4-9-22(20)32-15-14-27/h3-13H,14-16H2,1-2H3