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

Systemtic Name: 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-ethylphenyl)thiourea Openeye Name: 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-ethylphenyl)thiourea CAS Name: 1-[4-[(2,6-dimethyl-4-pyrimidinyl)sulfamoyl]phenyl]-3-(4-ethylphenyl)thiourea IUPAC Name: 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-ethylphenyl)thiourea Traditional Name: 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-ethylphenyl)thiourea Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C

InChI

InChI=1S/C21H23N5O2S2/c1-4-16-5-7-17(8-6-16)24-21(29)25-18-9-11-19(12-10-18)30(27,28)26-20-13-14(2)22-15(3)23-20/h5-13H,4H2,1-3H3,(H,22,23,26)(H2,24,25,29)