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

Systemtic Name: 3-(4-fluorophenyl)-4-oxidanylidene-N-(2-phenylbutyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(4-fluorophenyl)-4-oxo-N-(2-phenylbutyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(4-fluorophenyl)-4-oxo-N-(2-phenylbutyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(4-fluorophenyl)-4-oxo-N-(2-phenylbutyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-fluorophenyl)-4-keto-N-(2-phenylbutyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCC(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C25H22FN3O2S/c1-2-16(17-6-4-3-5-7-17)15-27-23(30)18-8-13-21-22(14-18)28-25(32)29(24(21)31)20-11-9-19(26)10-12-20/h3-14,16H,2,15H2,1H3,(H,27,30)(H,28,32)