1-(3-morpholin-4-ylsulfonylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(3-morpholin-4-ylsulfonylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(3-morpholinosulfonylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[3-(4-morpholinylsulfonyl)phenyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(3-morpholin-4-ylsulfonylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(3-morpholinosulfonylphenyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C21H22N6O5S3 MolecularWeight: 534.63158

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H22N6O5S3/c28-34(29,26-20-22-9-2-10-23-20)18-7-5-16(6-8-18)24-21(33)25-17-3-1-4-19(15-17)35(30,31)27-11-13-32-14-12-27/h1-10,15H,11-14H2,(H,22,23,26)(H2,24,25,33)