(2R)-N-(tert-butylcarbamoyl)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(tert-butylcarbamoyl)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(tert-butylcarbamoyl)-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-[(tert-butylamino)-oxomethyl]-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(tert-butylcarbamoyl)-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(tert-butylcarbamoyl)-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]propionamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1C

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)SC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1C

InChI

InChI=1S/C21H24N4O3S/c1-12(17(26)23-19(28)24-21(2,3)4)29-20-22-16-11-14-9-7-6-8-13(14)10-15(16)18(27)25(20)5/h6-12H,1-5H3,(H2,23,24,26,28)/t12-/m1/s1