2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-[(4-methoxyphenyl)methylamino]-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-(p-anisylamino)quinazolin-2-yl]thio]acetamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2S/c1-31-20-13-11-19(12-14-20)16-27-24-21-9-5-6-10-22(21)28-25(29-24)32-17-23(30)26-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,26,30)(H,27,28,29)