N2-(2-azanylethyl)-N1-[isothiocyanato(phenyl)methyl]propane-1,2-diamine

Systemtic Name: N2-(2-azanylethyl)-N1-[isothiocyanato(phenyl)methyl]propane-1,2-diamine Openeye Name: N2-(2-aminoethyl)-N1-[isothiocyanato(phenyl)methyl]propane-1,2-diamine CAS Name: N2-(2-aminoethyl)-N1-[isothiocyanato(phenyl)methyl]propane-1,2-diamine IUPAC Name: 2-N-(2-aminoethyl)-1-N-[isothiocyanato(phenyl)methyl]propane-1,2-diamine Traditional Name: 2-aminoethyl-[2-[[isothiocyanato(phenyl)methyl]amino]-1-methyl-ethyl]amine Formula: C13H20N4S MolecularWeight: 264.3897

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(C1=CC=CC=C1)N=C=S)NCCN

Isomeric SMILES

CC(CNC(C1=CC=CC=C1)N=C=S)NCCN

InChI

InChI=1S/C13H20N4S/c1-11(15-8-7-14)9-16-13(17-10-18)12-5-3-2-4-6-12/h2-6,11,13,15-16H,7-9,14H2,1H3