(2R)-2-acetamido-3-(2-isothiocyanatoethoxy)-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-acetamido-3-(2-isothiocyanatoethoxy)-N-(phenylmethyl)propanamide Openeye Name: (2R)-2-acetamido-N-benzyl-3-(2-isothiocyanatoethoxy)propanamide CAS Name: (2R)-2-acetamido-3-(2-isothiocyanatoethoxy)-N-(phenylmethyl)propanamide IUPAC Name: (2R)-2-acetamido-N-benzyl-3-(2-isothiocyanatoethoxy)propanamide Traditional Name: (2R)-2-acetamido-N-benzyl-3-(2-isothiocyanatoethoxy)propionamide Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(COCCN=C=S)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(=O)N[C@H](COCCN=C=S)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C15H19N3O3S/c1-12(19)18-14(10-21-8-7-16-11-22)15(20)17-9-13-5-3-2-4-6-13/h2-6,14H,7-10H2,1H3,(H,17,20)(H,18,19)/t14-/m1/s1