4-methoxy-3-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]benzamide

Systemtic Name: 4-methoxy-3-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]benzamide Openeye Name: 4-methoxy-3-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoylamino]benzamide CAS Name: 4-methoxy-3-[[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]amino]benzamide IUPAC Name: 4-methoxy-3-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]benzamide Traditional Name: 3-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoylamino]-4-methoxy-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C19H18N4O4S/c1-27-15-7-6-11(17(20)25)10-14(15)21-16(24)8-9-23-18(26)12-4-2-3-5-13(12)22-19(23)28/h2-7,10H,8-9H2,1H3,(H2,20,25)(H,21,24)(H,22,28)