1-(4-chloranyl-1,3-benzothiazol-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(4-chloranyl-1,3-benzothiazol-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(4-chloro-1,3-benzothiazol-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(4-chloro-1,3-benzothiazol-2-yl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(4-chloro-1,3-benzothiazol-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(4-chloro-1,3-benzothiazol-2-yl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H13ClN6O2S3 MolecularWeight: 476.98282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)N=C(S2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)N=C(S2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C18H13ClN6O2S3/c19-13-3-1-4-14-15(13)23-18(29-14)24-17(28)22-11-5-7-12(8-6-11)30(26,27)25-16-20-9-2-10-21-16/h1-10H,(H,20,21,25)(H2,22,23,24,28)