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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2,6-dimethylphenyl)-2-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C27H27N3O2S/c1-16-13-14-21(15-19(16)4)30-26(32)22-11-6-7-12-23(22)28-27(30)33-20(5)25(31)29-24-17(2)9-8-10-18(24)3/h6-15,20H,1-5H3,(H,29,31)