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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=C(NC2=CC=CC=C21)C(=O)OCC

Isomeric SMILES

CCCCNC(=S)NC1=C(NC2=CC=CC=C21)C(=O)OCC

InChI

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