1-(2-cyanoethyl)-3-[3-(dimethylsulfamoyl)phenyl]-1-methyl-thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-[3-(dimethylsulfamoyl)phenyl]-1-methyl-thiourea Openeye Name: 1-(2-cyanoethyl)-3-[3-(dimethylsulfamoyl)phenyl]-1-methyl-thiourea CAS Name: 1-(2-cyanoethyl)-3-[3-(dimethylsulfamoyl)phenyl]-1-methylthiourea IUPAC Name: 1-(2-cyanoethyl)-3-[3-(dimethylsulfamoyl)phenyl]-1-methylthiourea Traditional Name: 1-(2-cyanoethyl)-3-[3-(dimethylsulfamoyl)phenyl]-1-methyl-thiourea Formula: C13H18N4O2S2 MolecularWeight: 326.43762

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N(C)CCC#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N(C)CCC#N

InChI

InChI=1S/C13H18N4O2S2/c1-16(2)21(18,19)12-7-4-6-11(10-12)15-13(20)17(3)9-5-8-14/h4,6-7,10H,5,9H2,1-3H3,(H,15,20)