2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-[4-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-[4-(trifluoromethyl)phenyl]propionamide Formula: C21H18F3N3O2S MolecularWeight: 433.44673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H18F3N3O2S/c1-12(18(28)25-14-8-6-13(7-9-14)21(22,23)24)30-20-26-17-5-3-2-4-16(17)19(29)27(20)15-10-11-15/h2-9,12,15H,10-11H2,1H3,(H,25,28)