1-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-3-(2,5-dimethylphenyl)thiourea

Systemtic Name: 1-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-3-(2,5-dimethylphenyl)thiourea Openeye Name: 1-[(4-chloro-3-sulfamoyl-benzoyl)amino]-3-(2,5-dimethylphenyl)thiourea CAS Name: 1-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-3-(2,5-dimethylphenyl)thiourea IUPAC Name: 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-3-(2,5-dimethylphenyl)thiourea Traditional Name: 1-[(4-chloro-3-sulfamoyl-benzoyl)amino]-3-(2,5-dimethylphenyl)thiourea Formula: C16H17ClN4O3S2 MolecularWeight: 412.91418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

InChI

InChI=1S/C16H17ClN4O3S2/c1-9-3-4-10(2)13(7-9)19-16(25)21-20-15(22)11-5-6-12(17)14(8-11)26(18,23)24/h3-8H,1-2H3,(H,20,22)(H2,18,23,24)(H2,19,21,25)