1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(6-mesyl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C16H12F3N3O2S3 MolecularWeight: 431.47559

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3N3O2S3/c1-27(23,24)11-5-6-12-13(8-11)26-15(21-12)22-14(25)20-10-4-2-3-9(7-10)16(17,18)19/h2-8H,1H3,(H2,20,21,22,25)