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3-isothiocyanato-N-(phenylmethyl)propanamide

3-isothiocyanato-N-(phenylmethyl)propanamide

Systemtic Name:3-isothiocyanato-N-(phenylmethyl)propanamide
Openeye Name:N-benzyl-3-isothiocyanato-propanamide
CAS Name:3-isothiocyanato-N-(phenylmethyl)propanamide
IUPAC Name:N-benzyl-3-isothiocyanatopropanamide
Traditional Name:N-benzyl-3-isothiocyanato-propionamide
Formula: C11H12N2OS
MolecularWeight: 220.29078
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCN=C=S


Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCN=C=S


InChI

InChI=1S/C11H12N2OS/c14-11(6-7-12-9-15)13-8-10-4-2-1-3-5-10/h1-5H,6-8H2,(H,13,14)


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