7-(3-oxidanylidene-4H-quinoxalin-2-yl)-2-(piperidin-4-ylmethyl)-1,2-benzothiazol-3-one

Systemtic Name: 7-(3-oxidanylidene-4H-quinoxalin-2-yl)-2-(piperidin-4-ylmethyl)-1,2-benzothiazol-3-one Openeye Name: 7-(3-oxo-4H-quinoxalin-2-yl)-2-(4-piperidylmethyl)-1,2-benzothiazol-3-one CAS Name: 7-(3-oxo-4H-quinoxalin-2-yl)-2-(4-piperidinylmethyl)-1,2-benzothiazol-3-one IUPAC Name: 7-(3-oxo-4H-quinoxalin-2-yl)-2-(piperidin-4-ylmethyl)-1,2-benzothiazol-3-one Traditional Name: 7-(3-keto-4H-quinoxalin-2-yl)-2-(4-piperidylmethyl)-1,2-benzothiazol-3-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CN2C(=O)C3=C(S2)C(=CC=C3)C4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

C1CNCCC1CN2C(=O)C3=C(S2)C(=CC=C3)C4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C21H20N4O2S/c26-20-18(23-16-6-1-2-7-17(16)24-20)14-4-3-5-15-19(14)28-25(21(15)27)12-13-8-10-22-11-9-13/h1-7,13,22H,8-12H2,(H,24,26)