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

Systemtic Name: 3,5-dimethyl-2-[[4-[4-(4-piperidin-1-ylpiperidin-1-yl)carbonylphenyl]carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3,5-dimethyl-2-[[4-[4-[4-(1-piperidyl)piperidine-1-carbonyl]benzoyl]phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3,5-dimethyl-2-[[4-[oxo-[4-[oxo-[4-(1-piperidinyl)-1-piperidinyl]methyl]phenyl]methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3,5-dimethyl-2-[[4-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)benzoyl]phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3,5-dimethyl-2-[[4-[4-(4-piperidinopiperidine-1-carbonyl)benzoyl]benzyl]thio]quinazolin-4-one Formula: C35H38N4O3S MolecularWeight: 594.76622

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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)N6CCCCC6

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)N6CCCCC6

InChI

InChI=1S/C35H38N4O3S/c1-24-7-6-8-30-31(24)34(42)37(2)35(36-30)43-23-25-9-11-26(12-10-25)32(40)27-13-15-28(16-14-27)33(41)39-21-17-29(18-22-39)38-19-4-3-5-20-38/h6-16,29H,3-5,17-23H2,1-2H3