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

Systemtic Name: 2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[3-(2,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide CAS Name: 2-[[3-(2,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide Traditional Name: 2-[[3-(2,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(3-methoxypropyl)acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCCOC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCCOC

InChI

InChI=1S/C22H25N3O3S/c1-15-9-10-16(2)19(13-15)25-21(27)17-7-4-5-8-18(17)24-22(25)29-14-20(26)23-11-6-12-28-3/h4-5,7-10,13H,6,11-12,14H2,1-3H3,(H,23,26)