1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]thiourea CAS Name: 1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]thiourea Formula: C24H35N4O2S2+ MolecularWeight: 475.6903

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H34N4O2S2/c1-4-28(5-2)32(29,30)22-12-11-19(3)23(17-22)26-24(31)25-21-13-15-27(16-14-21)18-20-9-7-6-8-10-20/h6-12,17,21H,4-5,13-16,18H2,1-3H3,(H2,25,26,31)/p+1