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

Systemtic Name: methyl 5-bromanyl-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate Openeye Name: methyl 3-(allylcarbamothioylamino)-5-bromo-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate Traditional Name: 3-(allylthiocarbamoylamino)-5-bromo-1H-indole-2-carboxylic acid methyl ester Formula: C14H14BrN3O2S MolecularWeight: 368.24886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=S)NCC=C

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=S)NCC=C

InChI

InChI=1S/C14H14BrN3O2S/c1-3-6-16-14(21)18-11-9-7-8(15)4-5-10(9)17-12(11)13(19)20-2/h3-5,7,17H,1,6H2,2H3,(H2,16,18,21)