1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)thiourea

Systemtic Name: 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[4-[(2,6-dimethyl-4-pyrimidinyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-p-phenetyl-thiourea Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C

InChI

InChI=1S/C21H23N5O3S2/c1-4-29-18-9-5-16(6-10-18)24-21(30)25-17-7-11-19(12-8-17)31(27,28)26-20-13-14(2)22-15(3)23-20/h5-13H,4H2,1-3H3,(H,22,23,26)(H2,24,25,30)