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

Systemtic Name: N'-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-4-chloranyl-benzohydrazide Openeye Name: N'-[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4-chloro-benzohydrazide CAS Name: N'-[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-4-chlorobenzohydrazide IUPAC Name: N'-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-4-chlorobenzohydrazide Traditional Name: N'-[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]-4-chloro-benzohydrazide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN4O3S/c1-2-3-12-26-20(29)16-6-4-5-7-17(16)23-21(26)30-13-18(27)24-25-19(28)14-8-10-15(22)11-9-14/h4-11H,2-3,12-13H2,1H3,(H,24,27)(H,25,28)