N-[(1S,2S)-2-methylcyclohexyl]-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-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,2S)-2-methylcyclohexyl]acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

InChI

InChI=1S/C22H25N3O2S/c1-14-7-3-6-10-18(14)23-20(26)13-28-22-24-19-12-16-9-5-4-8-15(16)11-17(19)21(27)25(22)2/h4-5,8-9,11-12,14,18H,3,6-7,10,13H2,1-2H3,(H,23,26)/t14-,18-/m0/s1