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

Systemtic Name: tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-phenylazanyl-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-anilino-1-(1H-indol-3-ylmethyl)-2-thioxo-ethyl]carbamate CAS Name: N-[(2R)-1-anilino-3-(1H-indol-3-yl)-1-sulfanylidenepropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-anilino-3-(1H-indol-3-yl)-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[(1R)-2-anilino-1-(1H-indol-3-ylmethyl)-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-22(2,3)27-21(26)25-19(20(28)24-16-9-5-4-6-10-16)13-15-14-23-18-12-8-7-11-17(15)18/h4-12,14,19,23H,13H2,1-3H3,(H,24,28)(H,25,26)/t19-/m1/s1