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

Systemtic Name: 1-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methyl-phenyl]-3-pyridin-3-yl-thiourea Openeye Name: 1-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methyl-phenyl]-3-(3-pyridyl)thiourea CAS Name: 1-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-3-pyridin-3-ylthiourea Traditional Name: 1-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methyl-phenyl]-3-(3-pyridyl)thiourea Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)NC(=S)NC3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)NC(=S)NC3=CN=CC=C3)C

InChI

InChI=1S/C21H22N4O2S2/c1-14-6-9-19(16(3)11-14)25-29(26,27)18-8-7-15(2)20(12-18)24-21(28)23-17-5-4-10-22-13-17/h4-13,25H,1-3H3,(H2,23,24,28)