[3-(carbamothioylamino)-5-(trifluoromethyl)phenyl]methyl-carboxy-carbamic acid

Systemtic Name: [3-(carbamothioylamino)-5-(trifluoromethyl)phenyl]methyl-carboxy-carbamic acid Openeye Name: [3-(carbamothioylamino)-5-(trifluoromethyl)phenyl]methyl-carboxy-carbamic acid CAS Name: [3-(carbamothioylamino)-5-(trifluoromethyl)phenyl]methyl-carboxycarbamic acid IUPAC Name: [3-(carbamothioylamino)-5-(trifluoromethyl)phenyl]methyl-carboxycarbamic acid Traditional Name: carboxy-[3-thioureido-5-(trifluoromethyl)benzyl]carbamic acid Formula: C11H10F3N3O4S MolecularWeight: 337.27501

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)NC(=S)N)CN(C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)NC(=S)N)CN(C(=O)O)C(=O)O

InChI

InChI=1S/C11H10F3N3O4S/c12-11(13,14)6-1-5(2-7(3-6)16-8(15)22)4-17(9(18)19)10(20)21/h1-3H,4H2,(H,18,19)(H,20,21)(H3,15,16,22)