1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(p-tolylsulfonylamino)thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(tosylamino)thiourea Formula: C16H13F6N3O2S2 MolecularWeight: 457.413739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H13F6N3O2S2/c1-9-2-4-13(5-3-9)29(26,27)25-24-14(28)23-12-7-10(15(17,18)19)6-11(8-12)16(20,21)22/h2-8,25H,1H3,(H2,23,24,28)