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

Systemtic Name: 4-[2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoylamino]benzamide CAS Name: 4-[[2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]propanoylamino]benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H22N4O4S/c1-15(23(31)27-17-12-10-16(11-13-17)22(26)30)34-25-28-21-9-4-3-8-20(21)24(32)29(25)18-6-5-7-19(14-18)33-2/h3-15H,1-2H3,(H2,26,30)(H,27,31)