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

Systemtic Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C

InChI

InChI=1S/C26H24N4O3S/c1-18-10-11-20(15-19(18)2)29(13-6-12-27)24(31)17-34-26-28-23-9-4-3-8-22(23)25(32)30(26)16-21-7-5-14-33-21/h3-5,7-11,14-15H,6,13,16-17H2,1-2H3