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

Systemtic Name: 2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: 2-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: 2-[[3-(2,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide Traditional Name: 2-[[3-(2,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-methyl-3-phenyl-propyl)acetamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3O2S/c1-19-13-16-25(20(2)17-19)31-27(33)23-11-7-8-12-24(23)30-28(31)34-18-26(32)29-21(3)14-15-22-9-5-4-6-10-22/h4-13,16-17,21H,14-15,18H2,1-3H3,(H,29,32)