(2S)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide

Systemtic Name: (2S)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide Openeye Name: (2S)-N-isobutyl-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]-N-(2-methylpropyl)propanamide IUPAC Name: (2S)-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide Traditional Name: (2S)-N-isobutyl-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]propionamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-12(2)11-21-18(24)13(3)26-20-22-17-10-15-8-6-5-7-14(15)9-16(17)19(25)23(20)4/h5-10,12-13H,11H2,1-4H3,(H,21,24)/t13-/m0/s1