3,5-dimethyl-2-[[4-[4-(4-oxidanylpiperidin-1-yl)carbonylphenyl]carbonylphenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3,5-dimethyl-2-[[4-[4-(4-oxidanylpiperidin-1-yl)carbonylphenyl]carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 2-[[4-[4-(4-hydroxypiperidine-1-carbonyl)benzoyl]phenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one CAS Name: 2-[[4-[[4-[(4-hydroxy-1-piperidinyl)-oxomethyl]phenyl]-oxomethyl]phenyl]methylthio]-3,5-dimethyl-4-quinazolinone IUPAC Name: 2-[[4-[4-(4-hydroxypiperidine-1-carbonyl)benzoyl]phenyl]methylsulfanyl]-3,5-dimethylquinazolin-4-one Traditional Name: 2-[[4-[4-(4-hydroxypiperidine-1-carbonyl)benzoyl]benzyl]thio]-3,5-dimethyl-quinazolin-4-one Formula: C30H29N3O4S MolecularWeight: 527.63396

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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)C(=O)N5CCC(CC5)O

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)N5CCC(CC5)O

InChI

InChI=1S/C30H29N3O4S/c1-19-4-3-5-25-26(19)29(37)32(2)30(31-25)38-18-20-6-8-21(9-7-20)27(35)22-10-12-23(13-11-22)28(36)33-16-14-24(34)15-17-33/h3-13,24,34H,14-18H2,1-2H3