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

Systemtic Name: 1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(p-tolylmethyl)thiourea CAS Name: 1-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylbenzyl)thiourea Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC

InChI

InChI=1S/C21H23N5O4S2/c1-14-4-6-15(7-5-14)13-22-21(31)23-16-8-10-17(11-9-16)32(27,28)26-18-12-19(29-2)25-20(24-18)30-3/h4-12H,13H2,1-3H3,(H2,22,23,31)(H,24,25,26)