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

Systemtic Name: N-(2-cyanophenyl)-2-[3-[3-(dimethylamino)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanophenyl)-2-[3-[3-(dimethylamino)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanophenyl)-2-[[3-[3-(dimethylamino)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanophenyl)-2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-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=CC=C3C#N

Isomeric SMILES

CN(C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C#N

InChI

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