6-[4-(2-chloroethyloxy)phenyl]carbonyl-3,5-dimethyl-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 6-[4-(2-chloroethyloxy)phenyl]carbonyl-3,5-dimethyl-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-6-[4-(2-chloroethoxy)benzoyl]-3,5-dimethyl-quinazolin-4-one CAS Name: 6-[[4-(2-chloroethoxy)phenyl]-oxomethyl]-3,5-dimethyl-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-6-[4-(2-chloroethoxy)benzoyl]-3,5-dimethylquinazolin-4-one Traditional Name: 2-(benzylthio)-6-[4-(2-chloroethoxy)benzoyl]-3,5-dimethyl-quinazolin-4-one Formula: C26H23ClN2O3S MolecularWeight: 478.99042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3)C)C(=O)C4=CC=C(C=C4)OCCCl

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3)C)C(=O)C4=CC=C(C=C4)OCCCl

InChI

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