N-(3-cyanophenyl)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(3-cyanophenyl)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-cyanophenyl)-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(3-cyanophenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(3-cyanophenyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(3-cyanophenyl)-2-[[3-(3,5-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(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=CC(=C4)C#N)C

Isomeric SMILES

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

InChI

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