1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C20H18N6O2S3 MolecularWeight: 470.59092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C20H18N6O2S3/c1-12-10-16-17(11-13(12)2)30-20(24-16)25-19(29)23-14-4-6-15(7-5-14)31(27,28)26-18-21-8-3-9-22-18/h3-11H,1-2H3,(H,21,22,26)(H2,23,24,25,29)