N-(4-cyanophenyl)-2-[3-[3-(dimethylamino)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[3-[3-(dimethylamino)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-cyanophenyl)-2-[3-[3-(dimethylamino)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-cyanophenyl)-2-[[3-[3-(dimethylamino)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-cyanophenyl)-2-[[3-[3-(dimethylamino)propyl]-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CN(C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23N5O2S/c1-26(2)12-5-13-27-21(29)18-6-3-4-7-19(18)25-22(27)30-15-20(28)24-17-10-8-16(14-23)9-11-17/h3-4,6-11H,5,12-13,15H2,1-2H3,(H,24,28)