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

Systemtic Name: tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[(phenylmethyl)amino]-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-(benzylamino)-1-(1H-indol-3-ylmethyl)-2-thioxo-ethyl]carbamate CAS Name: N-[(2R)-3-(1H-indol-3-yl)-1-[(phenylmethyl)amino]-1-sulfanylidenepropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-(benzylamino)-3-(1H-indol-3-yl)-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[(1R)-2-(benzylamino)-1-(1H-indol-3-ylmethyl)-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-23(2,3)28-22(27)26-20(21(29)25-14-16-9-5-4-6-10-16)13-17-15-24-19-12-8-7-11-18(17)19/h4-12,15,20,24H,13-14H2,1-3H3,(H,25,29)(H,26,27)/t20-/m1/s1