2-[2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide CAS Name: 2-[[2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propanoylamino]thiophene-3-carboxamide Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C19H20N4O4S2/c1-11(16(26)22-17-13(15(20)25)7-10-28-17)29-19-21-14-6-3-2-5-12(14)18(27)23(19)8-4-9-24/h2-3,5-7,10-11,24H,4,8-9H2,1H3,(H2,20,25)(H,22,26)