tert-butyl 2-[(1-azanyl-2-naphthalen-1-yl-1-sulfanylidene-butan-2-yl)amino]hexanoate

Systemtic Name: tert-butyl 2-[(1-azanyl-2-naphthalen-1-yl-1-sulfanylidene-butan-2-yl)amino]hexanoate Openeye Name: tert-butyl 2-[[1-carbamothioyl-1-(1-naphthyl)propyl]amino]hexanoate CAS Name: 2-[[1-amino-2-(1-naphthalenyl)-1-sulfanylidenebutan-2-yl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1-amino-2-naphthalen-1-yl-1-sulfanylidenebutan-2-yl)amino]hexanoate Traditional Name: 2-[[1-(1-naphthyl)-1-thiocarbamoyl-propyl]amino]hexanoic acid tert-butyl ester Formula: C24H34N2O2S MolecularWeight: 414.60396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(CC)(C1=CC=CC2=CC=CC=C21)C(=S)N

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(CC)(C1=CC=CC2=CC=CC=C21)C(=S)N

InChI

InChI=1S/C24H34N2O2S/c1-6-8-16-20(21(27)28-23(3,4)5)26-24(7-2,22(25)29)19-15-11-13-17-12-9-10-14-18(17)19/h9-15,20,26H,6-8,16H2,1-5H3,(H2,25,29)