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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N5O2S2/c1-15-14-16(2)24-20(23-15)26-30(27,28)19-10-8-18(9-11-19)25-21(29)22-13-12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H2,22,25,29)(H,23,24,26)