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

Systemtic Name: 1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]thiourea CAS Name: 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]thiourea Formula: C22H31N4O2S2+ MolecularWeight: 447.63714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2S2/c1-17-9-10-20(30(27,28)25(2)3)15-21(17)24-22(29)23-19-11-13-26(14-12-19)16-18-7-5-4-6-8-18/h4-10,15,19H,11-14,16H2,1-3H3,(H2,23,24,29)/p+1