2-[(1-chloranylcyclohexyl)methyl]-7-(3-oxidanylidene-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one

Systemtic Name: 2-[(1-chloranylcyclohexyl)methyl]-7-(3-oxidanylidene-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one Openeye Name: 2-[(1-chlorocyclohexyl)methyl]-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one CAS Name: 2-[(1-chlorocyclohexyl)methyl]-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one IUPAC Name: 2-[(1-chlorocyclohexyl)methyl]-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one Traditional Name: 2-[(1-chlorocyclohexyl)methyl]-7-(3-keto-4H-quinoxalin-2-yl)-1,2-benzothiazol-3-one Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN2C(=O)C3=C(S2)C(=CC=C3)C4=NC5=CC=CC=C5NC4=O)Cl

Isomeric SMILES

C1CCC(CC1)(CN2C(=O)C3=C(S2)C(=CC=C3)C4=NC5=CC=CC=C5NC4=O)Cl

InChI

InChI=1S/C22H20ClN3O2S/c23-22(11-4-1-5-12-22)13-26-21(28)15-8-6-7-14(19(15)29-26)18-20(27)25-17-10-3-2-9-16(17)24-18/h2-3,6-10H,1,4-5,11-13H2,(H,25,27)