2-methyl-N-[4-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]phenyl]propanamide

Systemtic Name: 2-methyl-N-[4-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]phenyl]propanamide Openeye Name: 2-methyl-N-[4-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoylamino]phenyl]propanamide CAS Name: 2-methyl-N-[4-[[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]amino]phenyl]propanamide IUPAC Name: 2-methyl-N-[4-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]phenyl]propanamide Traditional Name: N-[4-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoylamino]phenyl]-2-methyl-propionamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H22N4O3S/c1-13(2)19(27)23-15-9-7-14(8-10-15)22-18(26)11-12-25-20(28)16-5-3-4-6-17(16)24-21(25)29/h3-10,13H,11-12H2,1-2H3,(H,22,26)(H,23,27)(H,24,29)