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

Systemtic Name: (2S)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2S)-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-N-(p-tolylmethyl)propanamide CAS Name: (2S)-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2S)-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2S)-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]-N-(4-methylbenzyl)propionamide Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

InChI

InChI=1S/C24H23N3O2S/c1-15-8-10-17(11-9-15)14-25-22(28)16(2)30-24-26-21-13-19-7-5-4-6-18(19)12-20(21)23(29)27(24)3/h4-13,16H,14H2,1-3H3,(H,25,28)/t16-/m0/s1