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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)CC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)CC4=CC=CC=C4

InChI

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