ethyl 3-[(2,6-diethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[(2,6-diethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[(2,6-diethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate CAS Name: 3-[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2,6-diethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate Traditional Name: 3-[(2,6-diethylphenyl)thiocarbamoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=C(NC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=C(NC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C22H25N3O2S/c1-4-14-10-9-11-15(5-2)18(14)24-22(28)25-19-16-12-7-8-13-17(16)23-20(19)21(26)27-6-3/h7-13,23H,4-6H2,1-3H3,(H2,24,25,28)