1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(2-thiophen-2-ylethanoylamino)thiourea

Systemtic Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(2-thiophen-2-ylethanoylamino)thiourea Openeye Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-[[2-(2-thienyl)acetyl]amino]thiourea CAS Name: 1-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-[(2-thiophen-2-ylacetyl)amino]thiourea Traditional Name: 1-[4-(2-pyrimidylsulfamoyl)phenyl]-3-[[2-(2-thienyl)acetyl]amino]thiourea Formula: C17H16N6O3S3 MolecularWeight: 448.54234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NNC(=O)CC3=CC=CS3

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NNC(=O)CC3=CC=CS3

InChI

InChI=1S/C17H16N6O3S3/c24-15(11-13-3-1-10-28-13)21-22-17(27)20-12-4-6-14(7-5-12)29(25,26)23-16-18-8-2-9-19-16/h1-10H,11H2,(H,21,24)(H,18,19,23)(H2,20,22,27)