methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indole-5-carboximidothioate hydroiodide

Systemtic Name: methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indole-5-carboximidothioate hydroiodide Openeye Name: methyl 3-[2-(benzyloxycarbonylamino)ethyl]-1H-indole-5-carboximidothioate hydroiodide CAS Name: 3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indole-5-carboximidothioic acid methyl ester hydroiodide IUPAC Name: methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indole-5-carboximidothioate hydroiodide Traditional Name: 3-[2-(benzyloxycarbonylamino)ethyl]-1H-indole-5-carboximidothioic acid methyl ester hydroiodide Formula: C20H22IN3O2S MolecularWeight: 495.37705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=N)C1=CC2=C(C=C1)NC=C2CCNC(=O)OCC3=CC=CC=C3.I

Isomeric SMILES

CSC(=N)C1=CC2=C(C=C1)NC=C2CCNC(=O)OCC3=CC=CC=C3.I

InChI

InChI=1S/C20H21N3O2S.HI/c1-26-19(21)15-7-8-18-17(11-15)16(12-23-18)9-10-22-20(24)25-13-14-5-3-2-4-6-14;/h2-8,11-12,21,23H,9-10,13H2,1H3,(H,22,24);1H