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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CSC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1C

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CSC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1C

InChI

InChI=1S/C21H24N4O3S/c1-13(2)8-9-22-20(28)24-18(26)12-29-21-23-17-11-15-7-5-4-6-14(15)10-16(17)19(27)25(21)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,22,24,26,28)