N-(4-cyanophenyl)-2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-cyanophenyl)-2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-cyanophenyl)-2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(4-cyanophenyl)-2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(4-cyanophenyl)-2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(4-cyanophenyl)-2-[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H22N4O2S/c1-16-7-6-8-17(2)23(16)30-25(32)21-9-4-5-10-22(21)29-26(30)33-18(3)24(31)28-20-13-11-19(15-27)12-14-20/h4-14,18H,1-3H3,(H,28,31)