N-(2-methylphenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-methylphenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(o-tolyl)propanamide CAS Name: N-(2-methylphenyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-methylphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(o-tolyl)propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C22H25N3O2S/c1-14(2)13-25-21(27)17-10-6-8-12-19(17)24-22(25)28-16(4)20(26)23-18-11-7-5-9-15(18)3/h5-12,14,16H,13H2,1-4H3,(H,23,26)