1-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[(2-phenyl-2-phenylsulfanylacetyl)amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[[2-phenyl-2-(phenylthio)acetyl]amino]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C25H22N6O3S3 MolecularWeight: 550.67558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)SC4=CC=CC=C4

InChI

InChI=1S/C25H22N6O3S3/c32-23(22(18-8-3-1-4-9-18)36-20-10-5-2-6-11-20)29-30-25(35)28-19-12-14-21(15-13-19)37(33,34)31-24-26-16-7-17-27-24/h1-17,22H,(H,29,32)(H,26,27,31)(H2,28,30,35)