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

Systemtic Name: 2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide Openeye Name: 2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide CAS Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[2-(4-methoxyphenyl)ethyl]propanamide IUPAC Name: 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide Traditional Name: 2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-[2-(4-methoxyphenyl)ethyl]propionamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCCC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCCC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C28H29N3O3S/c1-18-15-19(2)17-22(16-18)31-27(33)24-7-5-6-8-25(24)30-28(31)35-20(3)26(32)29-14-13-21-9-11-23(34-4)12-10-21/h5-12,15-17,20H,13-14H2,1-4H3,(H,29,32)