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

Systemtic Name: N-[(2S)-heptan-2-yl]-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-methylhexyl]-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(2S)-heptan-2-yl]-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]acetamide IUPAC Name: N-[(2S)-heptan-2-yl]-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]-N-[(1S)-1-methylhexyl]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-4-5-6-9-15(2)23-20(26)14-28-22-24-19-13-17-11-8-7-10-16(17)12-18(19)21(27)25(22)3/h7-8,10-13,15H,4-6,9,14H2,1-3H3,(H,23,26)/t15-/m0/s1