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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)NC4=CC=CC=C4C#N)C

InChI

InChI=1S/C26H22N4O2S/c1-16-12-13-23(17(2)14-16)30-25(32)20-9-5-7-11-22(20)29-26(30)33-18(3)24(31)28-21-10-6-4-8-19(21)15-27/h4-14,18H,1-3H3,(H,28,31)/t18-/m1/s1