N-[3,5-bis(chloranyl)phenyl]-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,5-dichlorophenyl)-4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-dichlorophenyl)-4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,5-dichlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3,5-dichlorophenyl)-4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-carbothioamide Formula: C17H23Cl2N4O2S+ MolecularWeight: 418.36112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=S)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=S)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H22Cl2N4O2S/c18-13-9-14(19)11-15(10-13)20-17(26)23-3-1-21(2-4-23)12-16(24)22-5-7-25-8-6-22/h9-11H,1-8,12H2,(H,20,26)/p+1