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

Systemtic Name: 2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: N-[(1S)-1-methylbutyl]-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NC2=CC3=CC=CC=C3C=C2C(=O)N1C

InChI

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