3-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-benzyl-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-benzyl-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-benzyl-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H15ClF3N3O2S MolecularWeight: 489.89731

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C23H15ClF3N3O2S/c24-17-9-7-15(23(25,26)27)11-19(17)30-21(32)16-8-6-14(10-18(16)29-22(30)33)20(31)28-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,28,31)(H,29,33)