1-(3,5-dimethylphenyl)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiourea Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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