1-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(2-methyl-5-morpholinosulfonyl-phenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(2-methyl-5-morpholinosulfonyl-phenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C18H29N4O4S2+ MolecularWeight: 429.57726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H28N4O4S2/c1-15-2-3-16(28(23,24)22-8-12-26-13-9-22)14-17(15)20-18(27)19-4-5-21-6-10-25-11-7-21/h2-3,14H,4-13H2,1H3,(H2,19,20,27)/p+1