4-[[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[7-chloro-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[7-chloro-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[7-chloro-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[7-chloro-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]-3-nitro-benzamide Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O5S/c1-2-31-9-3-8-25-20(28)16-7-6-15(22)11-17(16)24-21(25)32-12-14-5-4-13(19(23)27)10-18(14)26(29)30/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,23,27)