2-[(3-oxidanylidene-4H-quinoxalin-2-yl)sulfanyl]-1,3-di(piperidin-1-yl)propane-1,3-dione

Systemtic Name: 2-[(3-oxidanylidene-4H-quinoxalin-2-yl)sulfanyl]-1,3-di(piperidin-1-yl)propane-1,3-dione Openeye Name: 2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]-1,3-bis(1-piperidyl)propane-1,3-dione CAS Name: 2-[(3-oxo-4H-quinoxalin-2-yl)thio]-1,3-bis(1-piperidinyl)propane-1,3-dione IUPAC Name: 2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]-1,3-di(piperidin-1-yl)propane-1,3-dione Traditional Name: 2-[(3-keto-4H-quinoxalin-2-yl)thio]-1,3-dipiperidino-propane-1,3-dione Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C(=O)N2CCCCC2)SC3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

C1CCN(CC1)C(=O)C(C(=O)N2CCCCC2)SC3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H26N4O3S/c26-18-19(23-16-10-4-3-9-15(16)22-18)29-17(20(27)24-11-5-1-6-12-24)21(28)25-13-7-2-8-14-25/h3-4,9-10,17H,1-2,5-8,11-14H2,(H,22,26)