N-(4-chloranyl-2-nitro-phenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-chloro-2-nitrophenyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C19H17ClN4O5S MolecularWeight: 448.88008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O5S/c20-12-6-7-15(16(10-12)24(28)29)21-17(26)11-30-19-22-14-5-2-1-4-13(14)18(27)23(19)8-3-9-25/h1-2,4-7,10,25H,3,8-9,11H2,(H,21,26)