1-(2,6-diethylphenyl)-3-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]thiourea

Systemtic Name: 1-(2,6-diethylphenyl)-3-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]thiourea Openeye Name: 1-(2,6-diethylphenyl)-3-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]thiourea CAS Name: 1-[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]thiourea IUPAC Name: 1-(2,6-diethylphenyl)-3-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylamino]thiourea Traditional Name: 1-(2,6-diethylphenyl)-3-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]thiocarbamoylamino]thiourea Formula: C21H29N5O2S3 MolecularWeight: 479.68226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C21H29N5O2S3/c1-6-15-9-8-10-16(7-2)19(15)23-21(30)25-24-20(29)22-18-13-17(12-11-14(18)3)31(27,28)26(4)5/h8-13H,6-7H2,1-5H3,(H2,22,24,29)(H2,23,25,30)