1-[3-(3-isothiocyanatopropoxy)phenyl]-N,N-dimethyl-methanamine

Systemtic Name: 1-[3-(3-isothiocyanatopropoxy)phenyl]-N,N-dimethyl-methanamine Openeye Name: 1-[3-(3-isothiocyanatopropoxy)phenyl]-N,N-dimethyl-methanamine CAS Name: 1-[3-(3-isothiocyanatopropoxy)phenyl]-N,N-dimethylmethanamine IUPAC Name: 1-[3-(3-isothiocyanatopropoxy)phenyl]-N,N-dimethylmethanamine Traditional Name: [3-(3-isothiocyanatopropoxy)benzyl]-dimethyl-amine Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2OS/c1-15(2)10-12-5-3-6-13(9-12)16-8-4-7-14-11-17/h3,5-6,9H,4,7-8,10H2,1-2H3