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

Systemtic Name: 1-phenyl-3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]thiourea Openeye Name: 1-phenyl-3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]thiourea CAS Name: 1-[[anilino(sulfanylidene)methyl]amino]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-phenyl-3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]thiourea Traditional Name: 1-phenyl-3-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]thiourea Formula: C18H17N7O2S3 MolecularWeight: 459.56828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N7O2S3/c26-30(27,25-16-19-11-4-12-20-16)15-9-7-14(8-10-15)22-18(29)24-23-17(28)21-13-5-2-1-3-6-13/h1-12H,(H,19,20,25)(H2,21,23,28)(H2,22,24,29)