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

Systemtic Name: N-aminocarbonyl-2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-carbamoyl-acetamide CAS Name: 2-[[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxo-2-quinazolinyl]thio]-N-carbamoylacetamide IUPAC Name: 2-[3-[2,5-bis(trifluoromethyl)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-carbamoylacetamide Traditional Name: 2-[[3-[2,5-bis(trifluoromethyl)phenyl]-4-keto-quinazolin-2-yl]thio]-N-carbamoyl-acetamide Formula: C19H12F6N4O3S MolecularWeight: 490.378999

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC(=O)N)C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC(=O)N)C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H12F6N4O3S/c20-18(21,22)9-5-6-11(19(23,24)25)13(7-9)29-15(31)10-3-1-2-4-12(10)27-17(29)33-8-14(30)28-16(26)32/h1-7H,8H2,(H3,26,28,30,32)