ethyl 4-(1H-indazol-6-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(1H-indazol-6-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(1H-indazol-6-ylcarbamothioylamino)benzoate CAS Name: 4-[[(1H-indazol-6-ylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(1H-indazol-6-ylcarbamothioylamino)benzoate Traditional Name: 4-(1H-indazol-6-ylthiocarbamoylamino)benzoic acid ethyl ester Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C=NN3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C=NN3

InChI

InChI=1S/C17H16N4O2S/c1-2-23-16(22)11-3-6-13(7-4-11)19-17(24)20-14-8-5-12-10-18-21-15(12)9-14/h3-10H,2H2,1H3,(H,18,21)(H2,19,20,24)