4-[2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoylamino]benzamide

Systemtic Name: 4-[2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoylamino]benzamide CAS Name: 4-[[2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]propanoylamino]benzamide Formula: C26H24N4O3S MolecularWeight: 472.55876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C26H24N4O3S/c1-3-17-8-14-20(15-9-17)30-25(33)21-6-4-5-7-22(21)29-26(30)34-16(2)24(32)28-19-12-10-18(11-13-19)23(27)31/h4-16H,3H2,1-2H3,(H2,27,31)(H,28,32)