2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-phenethyl-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-phenethyl-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-phenethyl-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-7-[oxo(1-piperidinyl)methyl]-3-phenethyl-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-phenethyl-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenethyl-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCCCC3)C(=O)N1CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCCCC3)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3S/c1-28(2,3)24(32)19-35-27-29-23-18-21(25(33)30-15-8-5-9-16-30)12-13-22(23)26(34)31(27)17-14-20-10-6-4-7-11-20/h4,6-7,10-13,18H,5,8-9,14-17,19H2,1-3H3