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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(phenylmethyl)-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-4-one Openeye Name: 3-benzyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-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-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one Traditional Name: 3-benzyl-2-[(2-keto-3,3-dimethyl-butyl)thio]-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one Formula: C32H34N4O3S MolecularWeight: 554.70236

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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)N1CC5=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)N1CC5=CC=CC=C5

InChI

InChI=1S/C32H34N4O3S/c1-32(2,3)28(37)22-40-31-33-27-20-24(14-15-26(27)30(39)36(31)21-23-10-6-4-7-11-23)29(38)35-18-16-34(17-19-35)25-12-8-5-9-13-25/h4-15,20H,16-19,21-22H2,1-3H3