1-(2-methylsulfanylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(2-methylsulfanylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(2-methylsulfanylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[2-(methylthio)phenyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(2-methylsulfanylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[2-(methylthio)phenyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H17N5O2S3 MolecularWeight: 431.55488

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CSC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C18H17N5O2S3/c1-27-16-6-3-2-5-15(16)22-18(26)21-13-7-9-14(10-8-13)28(24,25)23-17-19-11-4-12-20-17/h2-12H,1H3,(H,19,20,23)(H2,21,22,26)