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

Systemtic Name: tert-butyl N-[1-azanyl-3-(1H-indol-3-yl)-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-amino-1-(1H-indol-3-ylmethyl)-2-thioxo-ethyl]carbamate CAS Name: N-[1-amino-3-(1H-indol-3-yl)-1-sulfanylidenepropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-amino-3-(1H-indol-3-yl)-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[2-amino-1-(1H-indol-3-ylmethyl)-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c1-16(2,3)21-15(20)19-13(14(17)22)8-10-9-18-12-7-5-4-6-11(10)12/h4-7,9,13,18H,8H2,1-3H3,(H2,17,22)(H,19,20)