N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-4-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-4-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide Formula: C17H26ClN4O3S2+ MolecularWeight: 433.99634

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C17H25ClN4O3S2/c1-2-20-5-7-21(8-6-20)17(26)19-16-13-14(3-4-15(16)18)27(23,24)22-9-11-25-12-10-22/h3-4,13H,2,5-12H2,1H3,(H,19,26)/p+1