methyl 5-bromanyl-3-(ethylcarbamothioylamino)-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-(ethylcarbamothioylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-(ethylcarbamothioylamino)-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[ethylamino(sulfanylidene)methyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-(ethylcarbamothioylamino)-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-(ethylthiocarbamoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C13H14BrN3O2S MolecularWeight: 356.23816

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CCNC(=S)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C13H14BrN3O2S/c1-3-15-13(20)17-10-8-6-7(14)4-5-9(8)16-11(10)12(18)19-2/h4-6,16H,3H2,1-2H3,(H2,15,17,20)