N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-p-phenetyl-acetamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C26H30N4O3S/c1-4-33-21-12-10-20(11-13-21)29(16-7-15-27)24(31)18-34-26-28-23-9-6-5-8-22(23)25(32)30(26)17-14-19(2)3/h5-6,8-13,19H,4,7,14,16-18H2,1-3H3