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

Systemtic Name: methyl 5-bromanyl-3-(methylcarbamothioylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-(methylcarbamothioylamino)-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[methylamino(sulfanylidene)methyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-(methylcarbamothioylamino)-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-(methylthiocarbamoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C12H12BrN3O2S MolecularWeight: 342.21158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN3O2S/c1-14-12(19)16-9-7-5-6(13)3-4-8(7)15-10(9)11(17)18-2/h3-5,15H,1-2H3,(H2,14,16,19)