N-[(2S)-5-methylhexan-2-yl]-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]acetamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-14(2)9-10-15(3)23-20(26)13-28-22-24-19-12-17-8-6-5-7-16(17)11-18(19)21(27)25(22)4/h5-8,11-12,14-15H,9-10,13H2,1-4H3,(H,23,26)/t15-/m0/s1