2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-ethanamide

Systemtic Name: 2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclopropyl-acetamide CAS Name: 2-[[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxo-2-quinazolinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[3-[2,5-bis(trifluoromethyl)phenyl]-4-keto-quinazolin-2-yl]thio]-N-cyclopropyl-acetamide Formula: C21H15F6N3O2S MolecularWeight: 487.418119

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H15F6N3O2S/c22-20(23,24)11-5-8-14(21(25,26)27)16(9-11)30-18(32)13-3-1-2-4-15(13)29-19(30)33-10-17(31)28-12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,28,31)