2-acetamido-N-[(4-isothiocyanatophenyl)methyl]-3-methoxy-propanamide

Systemtic Name: 2-acetamido-N-[(4-isothiocyanatophenyl)methyl]-3-methoxy-propanamide Openeye Name: 2-acetamido-N-[(4-isothiocyanatophenyl)methyl]-3-methoxy-propanamide CAS Name: 2-acetamido-N-[(4-isothiocyanatophenyl)methyl]-3-methoxypropanamide IUPAC Name: 2-acetamido-N-[(4-isothiocyanatophenyl)methyl]-3-methoxypropanamide Traditional Name: 2-acetamido-N-(4-isothiocyanatobenzyl)-3-methoxy-propionamide Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(COC)C(=O)NCC1=CC=C(C=C1)N=C=S

Isomeric SMILES

CC(=O)NC(COC)C(=O)NCC1=CC=C(C=C1)N=C=S

InChI

InChI=1S/C14H17N3O3S/c1-10(18)17-13(8-20-2)14(19)15-7-11-3-5-12(6-4-11)16-9-21/h3-6,13H,7-8H2,1-2H3,(H,15,19)(H,17,18)