N-(3-morpholin-4-ium-4-ylpropyl)-3-oxidanylidene-2,4-dihydroquinoxaline-1-carbothioamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-oxidanylidene-2,4-dihydroquinoxaline-1-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-2,4-dihydroquinoxaline-1-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-3-oxo-2,4-dihydroquinoxaline-1-carbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-2,4-dihydroquinoxaline-1-carbothioamide Traditional Name: 3-keto-N-(3-morpholin-4-ium-4-ylpropyl)-2,4-dihydroquinoxaline-1-carbothioamide Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C16H22N4O2S/c21-15-12-20(14-5-2-1-4-13(14)18-15)16(23)17-6-3-7-19-8-10-22-11-9-19/h1-2,4-5H,3,6-12H2,(H,17,23)(H,18,21)/p+1