N-(cyanomethyl)-2-[3-[3-(diethylamino)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-[3-[3-(diethylamino)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[3-[3-(diethylamino)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[3-[3-(diethylamino)propyl]-4-oxo-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[3-[3-(diethylamino)propyl]-4-keto-quinazolin-2-yl]thio]-N-phenyl-acetamide Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C25H29N5O2S/c1-3-28(4-2)16-10-17-30-24(32)21-13-8-9-14-22(21)27-25(30)33-19-23(31)29(18-15-26)20-11-6-5-7-12-20/h5-9,11-14H,3-4,10,16-19H2,1-2H3