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

Systemtic Name: N-(2,5-dimethylphenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2,5-dimethylphenyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2,5-dimethylphenyl)-2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCOC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCOC(C)C

InChI

InChI=1S/C25H31N3O3S/c1-16(2)31-14-8-13-28-24(30)20-9-6-7-10-21(20)27-25(28)32-19(5)23(29)26-22-15-17(3)11-12-18(22)4/h6-7,9-12,15-16,19H,8,13-14H2,1-5H3,(H,26,29)