N-(2,5-dimethylphenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-2-phenyl-acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-2-phenylacetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-2-phenyl-acetamide Formula: C28H29N3O2S MolecularWeight: 471.61376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC(C)C

InChI

InChI=1S/C28H29N3O2S/c1-18(2)17-31-27(33)22-12-8-9-13-23(22)30-28(31)34-25(21-10-6-5-7-11-21)26(32)29-24-16-19(3)14-15-20(24)4/h5-16,18,25H,17H2,1-4H3,(H,29,32)