N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C18H17N5O5S3 MolecularWeight: 479.55308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)OC

InChI

InChI=1S/C18H17N5O5S3/c1-27-15-10-14(20-17(21-15)28-2)23-31(25,26)12-7-5-11(6-8-12)19-18(29)22-16(24)13-4-3-9-30-13/h3-10H,1-2H3,(H,20,21,23)(H2,19,22,24,29)