methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C19H11ClF6N2O2S2 MolecularWeight: 512.876259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl

InChI

InChI=1S/C19H11ClF6N2O2S2/c1-30-16(29)15-14(20)12-3-2-10(7-13(12)32-15)27-17(31)28-11-5-8(18(21,22)23)4-9(6-11)19(24,25)26/h2-7H,1H3,(H2,27,28,31)