1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-(2-methyl-2-piperidin-1-yl-propyl)thiourea

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-(2-methyl-2-piperidin-1-yl-propyl)thiourea Openeye Name: 1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-[2-methyl-2-(1-piperidyl)propyl]thiourea CAS Name: 1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-[2-methyl-2-(1-piperidinyl)propyl]thiourea IUPAC Name: 1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2-methyl-2-piperidin-1-ylpropyl)thiourea Traditional Name: 1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-(2-methyl-2-piperidino-propyl)thiourea Formula: C21H36N4O2S2 MolecularWeight: 440.66614

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NCC(C)(C)N2CCCCC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NCC(C)(C)N2CCCCC2

InChI

InChI=1S/C21H36N4O2S2/c1-6-25(7-2)29(26,27)18-12-11-17(3)19(15-18)23-20(28)22-16-21(4,5)24-13-9-8-10-14-24/h11-12,15H,6-10,13-14,16H2,1-5H3,(H2,22,23,28)