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

Systemtic Name: tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(phenethylamino)-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-(1H-indol-3-ylmethyl)-2-(phenethylamino)-2-thioxo-ethyl]carbamate CAS Name: N-[(2R)-3-(1H-indol-3-yl)-1-(phenethylamino)-1-sulfanylidenepropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(phenethylamino)-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[(1R)-1-(1H-indol-3-ylmethyl)-2-(phenethylamino)-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C24H29N3O2S MolecularWeight: 423.57096

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)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2S/c1-24(2,3)29-23(28)27-21(15-18-16-26-20-12-8-7-11-19(18)20)22(30)25-14-13-17-9-5-4-6-10-17/h4-12,16,21,26H,13-15H2,1-3H3,(H,25,30)(H,27,28)/t21-/m1/s1