(phenylmethyl) N-[(1S)-5-(ethanethioylamino)-1-(1H-imidazol-2-yl)pentyl]carbamate

Systemtic Name: (phenylmethyl) N-[(1S)-5-(ethanethioylamino)-1-(1H-imidazol-2-yl)pentyl]carbamate Openeye Name: benzyl N-[(1S)-5-(ethanethioylamino)-1-(1H-imidazol-2-yl)pentyl]carbamate CAS Name: N-[(1S)-1-(1H-imidazol-2-yl)-5-(1-sulfanylideneethylamino)pentyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S)-5-(ethanethioylamino)-1-(1H-imidazol-2-yl)pentyl]carbamate Traditional Name: N-[(1S)-1-(1H-imidazol-2-yl)-5-(thioacetylamino)pentyl]carbamic acid benzyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCCCCC(C1=NC=CN1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=S)NCCCC[C@@H](C1=NC=CN1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H24N4O2S/c1-14(25)19-10-6-5-9-16(17-20-11-12-21-17)22-18(23)24-13-15-7-3-2-4-8-15/h2-4,7-8,11-12,16H,5-6,9-10,13H2,1H3,(H,19,25)(H,20,21)(H,22,23)/t16-/m0/s1