ethyl 3-[[4-(trifluoromethyl)phenyl]carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[[4-(trifluoromethyl)phenyl]carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[4-(trifluoromethyl)phenyl]carbamothioylamino]-1H-indole-2-carboxylate CAS Name: 3-[[sulfanylidene-[4-(trifluoromethyl)anilino]methyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(trifluoromethyl)phenyl]carbamothioylamino]-1H-indole-2-carboxylate Traditional Name: 3-[[4-(trifluoromethyl)phenyl]thiocarbamoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C19H16F3N3O2S MolecularWeight: 407.40945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O2S/c1-2-27-17(26)16-15(13-5-3-4-6-14(13)24-16)25-18(28)23-12-9-7-11(8-10-12)19(20,21)22/h3-10,24H,2H2,1H3,(H2,23,25,28)