1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(3-imidazol-1-ylpropyl)thiourea Formula: C16H23N5O2S2 MolecularWeight: 381.51612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NCCCN2C=CN=C2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NCCCN2C=CN=C2

InChI

InChI=1S/C16H23N5O2S2/c1-13-5-6-14(25(22,23)20(2)3)11-15(13)19-16(24)18-7-4-9-21-10-8-17-12-21/h5-6,8,10-12H,4,7,9H2,1-3H3,(H2,18,19,24)