1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea CAS Name: 1-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea Traditional Name: 1-benzyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiourea Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H21N5O4S2/c1-28-18-12-17(23-19(24-18)29-2)25-31(26,27)16-10-8-15(9-11-16)22-20(30)21-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H2,21,22,30)(H,23,24,25)