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

Systemtic Name: 1-(2-phenylsulfanylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(2-phenylsulfanylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[2-(phenylthio)phenyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(2-phenylsulfanylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[2-(phenylthio)phenyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C23H19N5O2S3 MolecularWeight: 493.62426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C23H19N5O2S3/c29-33(30,28-22-24-15-6-16-25-22)19-13-11-17(12-14-19)26-23(31)27-20-9-4-5-10-21(20)32-18-7-2-1-3-8-18/h1-16H,(H,24,25,28)(H2,26,27,31)