ethyl 3-(tert-butylcarbamothioylamino)-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-(tert-butylcarbamothioylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 3-(tert-butylcarbamothioylamino)-1H-indole-2-carboxylate CAS Name: 3-[[(tert-butylamino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(tert-butylcarbamothioylamino)-1H-indole-2-carboxylate Traditional Name: 3-(tert-butylthiocarbamoylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c1-5-21-14(20)13-12(18-15(22)19-16(2,3)4)10-8-6-7-9-11(10)17-13/h6-9,17H,5H2,1-4H3,(H2,18,19,22)