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

Systemtic Name: methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indole-5-carboximidothioate Openeye Name: methyl 3-[2-(benzyloxycarbonylamino)ethyl]-1H-indole-5-carboximidothioate CAS Name: 3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indole-5-carboximidothioic acid methyl ester IUPAC Name: methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indole-5-carboximidothioate Traditional Name: 3-[2-(benzyloxycarbonylamino)ethyl]-1H-indole-5-carboximidothioic acid methyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/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)