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

Systemtic Name: N,N-diethyl-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: N,N-diethyl-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-2-phenyl-acetamide CAS Name: N,N-diethyl-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]-2-phenylacetamide IUPAC Name: N,N-diethyl-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide Traditional Name: N,N-diethyl-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]-2-phenyl-acetamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-3-29(4-2)25(32)23(20-12-6-5-7-13-20)33-26-28-22-15-9-8-14-21(22)24(31)30(26)18-19-11-10-16-27-17-19/h5-17,23H,3-4,18H2,1-2H3