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

Systemtic Name: N-(3-cyanophenyl)-2-[3-[3-(dimethylamino)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyanophenyl)-2-[3-[3-(dimethylamino)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyanophenyl)-2-[[3-[3-(dimethylamino)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-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(=C3)C#N

Isomeric SMILES

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

InChI

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