2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-phenethyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-phenethyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-phenethyl-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one Formula: C33H36N4O3S MolecularWeight: 568.72894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)N1CCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)N1CCC5=CC=CC=C5

InChI

InChI=1S/C33H36N4O3S/c1-33(2,3)29(38)23-41-32-34-28-22-25(30(39)36-20-18-35(19-21-36)26-12-8-5-9-13-26)14-15-27(28)31(40)37(32)17-16-24-10-6-4-7-11-24/h4-15,22H,16-21,23H2,1-3H3