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

Systemtic Name: 2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)ethanamide Openeye Name: 2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)acetamide CAS Name: 2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]-N,N-bis(2-cyanoethyl)acetamide IUPAC Name: 2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)acetamide Traditional Name: 2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]-N,N-bis(2-cyanoethyl)acetamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C26H27N5O2S/c1-2-3-8-20-11-13-21(14-12-20)31-25(33)22-9-4-5-10-23(22)29-26(31)34-19-24(32)30(17-6-15-27)18-7-16-28/h4-5,9-14H,2-3,6-8,17-19H2,1H3