tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(pyridin-2-ylmethylamino)-1-sulfanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(pyridin-2-ylmethylamino)-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-(1H-indol-3-ylmethyl)-2-(2-pyridylmethylamino)-2-thioxo-ethyl]carbamate CAS Name: N-[(2R)-3-(1H-indol-3-yl)-1-(2-pyridinylmethylamino)-1-sulfanylidenepropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(pyridin-2-ylmethylamino)-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[(1R)-1-(1H-indol-3-ylmethyl)-2-(2-pyridylmethylamino)-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=S)NCC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=S)NCC3=CC=CC=N3

InChI

InChI=1S/C22H26N4O2S/c1-22(2,3)28-21(27)26-19(20(29)25-14-16-8-6-7-11-23-16)12-15-13-24-18-10-5-4-9-17(15)18/h4-11,13,19,24H,12,14H2,1-3H3,(H,25,29)(H,26,27)/t19-/m1/s1