N-cyclopropyl-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-cyclopropyl-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-cyclopropyl-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-2-phenyl-acetamide CAS Name: N-cyclopropyl-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]-2-phenylacetamide IUPAC Name: N-cyclopropyl-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide Traditional Name: N-cyclopropyl-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]-2-phenyl-acetamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

InChI

InChI=1S/C25H22N4O2S/c30-23(27-19-12-13-19)22(18-8-2-1-3-9-18)32-25-28-21-11-5-4-10-20(21)24(31)29(25)16-17-7-6-14-26-15-17/h1-11,14-15,19,22H,12-13,16H2,(H,27,30)