tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[(4-nitrophenyl)methylamino]-1-sulfanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[(4-nitrophenyl)methylamino]-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-(1H-indol-3-ylmethyl)-2-[(4-nitrophenyl)methylamino]-2-thioxo-ethyl]carbamate CAS Name: N-[(2R)-3-(1H-indol-3-yl)-1-[(4-nitrophenyl)methylamino]-1-sulfanylidenepropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[(4-nitrophenyl)methylamino]-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[(1R)-1-(1H-indol-3-ylmethyl)-2-[(4-nitrobenzyl)amino]-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-23(2,3)31-22(28)26-20(12-16-14-24-19-7-5-4-6-18(16)19)21(32)25-13-15-8-10-17(11-9-15)27(29)30/h4-11,14,20,24H,12-13H2,1-3H3,(H,25,32)(H,26,28)/t20-/m1/s1