1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea CAS Name: 1-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Formula: C16H25ClN5O3S2+ MolecularWeight: 434.9844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN5O3S2/c1-20-4-6-21(7-5-20)19-16(26)18-15-12-13(2-3-14(15)17)27(23,24)22-8-10-25-11-9-22/h2-3,12H,4-11H2,1H3,(H2,18,19,26)/p+1