3-isothiocyanato-N-methyl-N-(phenylmethyl)propan-1-amine

Systemtic Name: 3-isothiocyanato-N-methyl-N-(phenylmethyl)propan-1-amine Openeye Name: N-benzyl-3-isothiocyanato-N-methyl-propan-1-amine CAS Name: 3-isothiocyanato-N-methyl-N-(phenylmethyl)-1-propanamine IUPAC Name: N-benzyl-3-isothiocyanato-N-methylpropan-1-amine Traditional Name: benzyl-(3-isothiocyanatopropyl)-methyl-amine Formula: C12H16N2S MolecularWeight: 220.33384

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN=C=S)CC1=CC=CC=C1

Isomeric SMILES

CN(CCCN=C=S)CC1=CC=CC=C1

InChI

InChI=1S/C12H16N2S/c1-14(9-5-8-13-11-15)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3