2-[(5-cyclohexyl-5-ethyl-4-oxidanylidene-4a,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]ethanamide

Systemtic Name: 2-[(5-cyclohexyl-5-ethyl-4-oxidanylidene-4a,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-cyclohexyl-5-ethyl-4-oxo-4a,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide CAS Name: 2-[(5-cyclohexyl-5-ethyl-4-oxo-4a,6-dihydrobenzo[h]quinazolin-2-yl)thio]acetamide IUPAC Name: 2-[(5-cyclohexyl-5-ethyl-4-oxo-4a,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(5-cyclohexyl-5-ethyl-4-keto-4a,6-dihydrobenzo[h]quinazolin-2-yl)thio]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=NC(=NC(=O)C31)SCC(=O)N)C4CCCCC4

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=NC(=NC(=O)C31)SCC(=O)N)C4CCCCC4

InChI

InChI=1S/C22H27N3O2S/c1-2-22(15-9-4-3-5-10-15)12-14-8-6-7-11-16(14)19-18(22)20(27)25-21(24-19)28-13-17(23)26/h6-8,11,15,18H,2-5,9-10,12-13H2,1H3,(H2,23,26)