1-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(4-chloro-3-morpholinosulfonyl-phenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(4-chloro-3-morpholinosulfonyl-phenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C17H26ClN4O4S2+ MolecularWeight: 449.99574

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H25ClN4O4S2/c18-15-2-1-14(13-16(15)28(23,24)22-7-11-26-12-8-22)20-17(27)19-3-4-21-5-9-25-10-6-21/h1-2,13H,3-12H2,(H2,19,20,27)/p+1