N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H24N4O3S/c1-16-7-8-17(2)21(13-16)32-23-10-9-18(15-27-23)14-26-22(30)11-12-29-24(31)19-5-3-4-6-20(19)28-25(29)33/h3-10,13,15H,11-12,14H2,1-2H3,(H,26,30)(H,28,33)