2-[2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylethanoylamino]benzamide

Systemtic Name: 2-[2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylethanoylamino]benzamide Openeye Name: 2-[[2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzamide CAS Name: 2-[[2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide Traditional Name: 2-[[2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3C(=O)N)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3C(=O)N)CCCO

InChI

InChI=1S/C20H20N4O4S/c21-18(27)13-6-1-3-8-15(13)22-17(26)12-29-20-23-16-9-4-2-7-14(16)19(28)24(20)10-5-11-25/h1-4,6-9,25H,5,10-12H2,(H2,21,27)(H,22,26)