N-(4-nitrophenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-nitrophenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CCCO

InChI

InChI=1S/C19H18N4O5S/c24-11-3-10-22-18(26)15-4-1-2-5-16(15)21-19(22)29-12-17(25)20-13-6-8-14(9-7-13)23(27)28/h1-2,4-9,24H,3,10-12H2,(H,20,25)