1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]amino]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[2-(1,3-benzothiazol-2-ylthio)propanoylamino]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C21H19N7O3S4 MolecularWeight: 545.68066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N7O3S4/c1-13(33-21-25-16-5-2-3-6-17(16)34-21)18(29)26-27-20(32)24-14-7-9-15(10-8-14)35(30,31)28-19-22-11-4-12-23-19/h2-13H,1H3,(H,26,29)(H,22,23,28)(H2,24,27,32)