2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(2-fluorophenyl)methylthio]-4-oxo-3-(phenylmethyl)-N-propyl-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-[(2-fluorobenzyl)thio]-4-keto-N-propyl-quinazoline-7-carboxamide Formula: C26H24FN3O2S MolecularWeight: 461.551063

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3F)CC4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3F)CC4=CC=CC=C4

InChI

InChI=1S/C26H24FN3O2S/c1-2-14-28-24(31)19-12-13-21-23(15-19)29-26(33-17-20-10-6-7-11-22(20)27)30(25(21)32)16-18-8-4-3-5-9-18/h3-13,15H,2,14,16-17H2,1H3,(H,28,31)