(5S)-2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyclohexyl-5-ethyl-6H-benzo[h]quinazolin-4-olate

Systemtic Name: (5S)-2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyclohexyl-5-ethyl-6H-benzo[h]quinazolin-4-olate Openeye Name: (5S)-2-(2-amino-2-oxo-ethyl)sulfanyl-5-cyclohexyl-5-ethyl-6H-benzo[h]quinazolin-4-olate CAS Name: (5S)-2-[(2-amino-2-oxoethyl)thio]-5-cyclohexyl-5-ethyl-6H-benzo[h]quinazolin-4-olate IUPAC Name: (5S)-2-(2-amino-2-oxoethyl)sulfanyl-5-cyclohexyl-5-ethyl-6H-benzo[h]quinazolin-4-olate Traditional Name: (5S)-2-[(2-amino-2-keto-ethyl)thio]-5-cyclohexyl-5-ethyl-6H-benzo[h]quinazolin-4-olate Formula: C22H26N3O2S- MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=NC(=N3)SCC(=O)N)[O-])C4CCCCC4

Isomeric SMILES

CC[C@]1(CC2=CC=CC=C2C3=C1C(=NC(=N3)SCC(=O)N)[O-])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/h6-8,11,15H,2-5,9-10,12-13H2,1H3,(H2,23,26)(H,24,25,27)/p-1/t22-/m0/s1