N,N-bis(2-cyanoethyl)-2-[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-[3-(7-methyloctyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[[3-(7-methyloctyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-[3-(7-methyloctyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[[4-keto-3-(7-methyloctyl)quinazolin-2-yl]thio]acetamide Formula: C25H33N5O2S MolecularWeight: 467.62682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C25H33N5O2S/c1-20(2)11-5-3-4-8-18-30-24(32)21-12-6-7-13-22(21)28-25(30)33-19-23(31)29(16-9-14-26)17-10-15-27/h6-7,12-13,20H,3-5,8-11,16-19H2,1-2H3