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

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]acetamide Formula: C25H25N5O2S MolecularWeight: 459.5633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C25H25N5O2S/c26-14-7-16-29(17-8-15-27)23(31)19-33-25-28-22-13-5-4-12-21(22)24(32)30(25)18-6-11-20-9-2-1-3-10-20/h1-5,9-10,12-13H,6-8,11,16-19H2