N'-[2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]benzohydrazide

Systemtic Name: N'-[2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]benzohydrazide Openeye Name: N'-[2-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]benzohydrazide CAS Name: N'-[2-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]benzohydrazide IUPAC Name: N'-[2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]benzohydrazide Traditional Name: N'-[2-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetyl]benzohydrazide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NNC(=O)C3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4O4S/c1-30-11-5-10-26-20(29)16-9-8-15(22)12-17(16)23-21(26)31-13-18(27)24-25-19(28)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,24,27)(H,25,28)