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

Systemtic Name: 1-[(4-ethylphenyl)sulfonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[(4-ethylphenyl)sulfonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[(4-ethylphenyl)sulfonylamino]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[(4-ethylphenyl)sulfonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[(4-ethylphenyl)sulfonylamino]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C19H20N6O4S3 MolecularWeight: 492.5949

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C19H20N6O4S3/c1-2-14-4-8-17(9-5-14)32(28,29)25-23-19(30)22-15-6-10-16(11-7-15)31(26,27)24-18-20-12-3-13-21-18/h3-13,25H,2H2,1H3,(H,20,21,24)(H2,22,23,30)