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

Systemtic Name: 3-[5-(diethylsulfamoyl)-2-methyl-phenyl]-1-(phenylmethyl)-1-propan-2-yl-thiourea Openeye Name: 1-benzyl-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]-1-isopropyl-thiourea CAS Name: 3-[5-(diethylsulfamoyl)-2-methylphenyl]-1-(phenylmethyl)-1-propan-2-ylthiourea IUPAC Name: 1-benzyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]-1-propan-2-ylthiourea Traditional Name: 1-benzyl-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]-1-isopropyl-thiourea Formula: C22H31N3O2S2 MolecularWeight: 433.63044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O2S2/c1-6-24(7-2)29(26,27)20-14-13-18(5)21(15-20)23-22(28)25(17(3)4)16-19-11-9-8-10-12-19/h8-15,17H,6-7,16H2,1-5H3,(H,23,28)