1-(3,4-dimethylphenyl)-3-[[4-(trifluoromethylsulfonyl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[4-(trifluoromethylsulfonyl)phenyl]carbonylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[oxo-[4-(trifluoromethylsulfonyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[(4-triflylbenzoyl)amino]thiourea Formula: C17H16F3N3O3S2 MolecularWeight: 431.45245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N3O3S2/c1-10-3-6-13(9-11(10)2)21-16(27)23-22-15(24)12-4-7-14(8-5-12)28(25,26)17(18,19)20/h3-9H,1-2H3,(H,22,24)(H2,21,23,27)