1-[3-(dimethylsulfamoyl)phenyl]-3-[(phenylmethyl)carbamothioylamino]thiourea

Systemtic Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(phenylmethyl)carbamothioylamino]thiourea Openeye Name: 1-benzyl-3-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]thiourea CAS Name: 1-[[[3-(dimethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]thiourea Traditional Name: 1-benzyl-3-[[3-(dimethylsulfamoyl)phenyl]thiocarbamoylamino]thiourea Formula: C17H21N5O2S3 MolecularWeight: 423.57594

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H21N5O2S3/c1-22(2)27(23,24)15-10-6-9-14(11-15)19-17(26)21-20-16(25)18-12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H2,18,20,25)(H2,19,21,26)