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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2,6-dimethylphenyl)-2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[3-(2,6-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=C(C=CC=C4C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=C4C)C

InChI

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