3-(2-fluorophenyl)-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2-fluorophenyl)-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-benzyl-3-(2-fluorophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2-fluorophenyl)-4-oxo-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-benzyl-3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-benzyl-3-(2-fluorophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H16FN3O2S MolecularWeight: 405.444743

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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=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4F

InChI

InChI=1S/C22H16FN3O2S/c23-17-8-4-5-9-19(17)26-21(28)16-11-10-15(12-18(16)25-22(26)29)20(27)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,27)(H,25,29)