methyl (2R)-2-[(5-bromanylpyridin-2-yl)carbamothioylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[(5-bromanylpyridin-2-yl)carbamothioylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[(5-bromo-2-pyridyl)carbamothioylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(5-bromopyridin-2-yl)carbamothioylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[(5-bromo-2-pyridyl)thiocarbamoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=S)NC3=NC=C(C=C3)Br

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=S)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN4O2S/c1-25-17(24)15(8-11-9-20-14-5-3-2-4-13(11)14)22-18(26)23-16-7-6-12(19)10-21-16/h2-7,9-10,15,20H,8H2,1H3,(H2,21,22,23,26)/t15-/m1/s1