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

Systemtic Name: 3-[5-(diethylsulfamoyl)-2-methyl-phenyl]-1-phenethyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]-1-phenethyl-thiourea CAS Name: 3-[5-(diethylsulfamoyl)-2-methylphenyl]-1-phenethyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]-1-phenethylthiourea Traditional Name: 1-benzyl-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]-1-phenethyl-thiourea Formula: C27H33N3O2S2 MolecularWeight: 495.69982

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O2S2/c1-4-30(5-2)34(31,32)25-17-16-22(3)26(20-25)28-27(33)29(21-24-14-10-7-11-15-24)19-18-23-12-8-6-9-13-23/h6-17,20H,4-5,18-19,21H2,1-3H3,(H,28,33)