(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(5-methylisoxazol-3-yl)-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(5-methyl-3-isoxazolyl)-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

InChI

InChI=1S/C20H18N4O3S/c1-11-8-17(23-27-11)22-18(25)12(2)28-20-21-16-10-14-7-5-4-6-13(14)9-15(16)19(26)24(20)3/h4-10,12H,1-3H3,(H,22,23,25)/t12-/m0/s1