N,N-bis(2-cyanoethyl)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C24H23N5O2S MolecularWeight: 445.53672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CCC#N)C

InChI

InChI=1S/C24H23N5O2S/c1-17-13-18(2)15-19(14-17)29-23(31)20-7-3-4-8-21(20)27-24(29)32-16-22(30)28(11-5-9-25)12-6-10-26/h3-4,7-8,13-15H,5-6,11-12,16H2,1-2H3