N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-piazthiol-4-yl-acetamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H21N5O2S2/c1-13(2)10-11-26-20(28)14-6-3-4-7-15(14)23-21(26)29-12-18(27)22-16-8-5-9-17-19(16)25-30-24-17/h3-9,13H,10-12H2,1-2H3,(H,22,27)