3-[5-(diethylsulfamoyl)-2-methyl-phenyl]-1-(2-hydroxyethyl)-1-(phenylmethyl)thiourea

Systemtic Name: 3-[5-(diethylsulfamoyl)-2-methyl-phenyl]-1-(2-hydroxyethyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]-1-(2-hydroxyethyl)thiourea CAS Name: 3-[5-(diethylsulfamoyl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]-1-(2-hydroxyethyl)thiourea Traditional Name: 1-benzyl-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]-1-(2-hydroxyethyl)thiourea Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N(CCO)CC2=CC=CC=C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N(CCO)CC2=CC=CC=C2

InChI

InChI=1S/C21H29N3O3S2/c1-4-24(5-2)29(26,27)19-12-11-17(3)20(15-19)22-21(28)23(13-14-25)16-18-9-7-6-8-10-18/h6-12,15,25H,4-5,13-14,16H2,1-3H3,(H,22,28)