1-[2-[(2-bromophenyl)methylsulfanyl]ethanoylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[2-[(2-bromophenyl)methylsulfanyl]ethanoylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[[2-[(2-bromophenyl)methylthio]-1-oxoethyl]amino]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[[2-[(2-bromobenzyl)thio]acetyl]amino]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C20H19BrN6O3S3 MolecularWeight: 567.50226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN6O3S3/c21-17-5-2-1-4-14(17)12-32-13-18(28)25-26-20(31)24-15-6-8-16(9-7-15)33(29,30)27-19-22-10-3-11-23-19/h1-11H,12-13H2,(H,25,28)(H,22,23,27)(H2,24,26,31)