N-(butylcarbamoyl)-2-(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(butylcarbamoyl)-2-(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(butylcarbamoyl)-2-(3-ethyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[(3-ethyl-4-oxo-2-benzo[g]quinazolinyl)thio]acetamide IUPAC Name: N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide Traditional Name: N-(butylcarbamoyl)-2-[(3-ethyl-4-keto-benzo[g]quinazolin-2-yl)thio]acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CSC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1CC

Isomeric SMILES

CCCCNC(=O)NC(=O)CSC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1CC

InChI

InChI=1S/C21H24N4O3S/c1-3-5-10-22-20(28)24-18(26)13-29-21-23-17-12-15-9-7-6-8-14(15)11-16(17)19(27)25(21)4-2/h6-9,11-12H,3-5,10,13H2,1-2H3,(H2,22,24,26,28)