N1-(2-azanylethyl)-3-(4-isothiocyanatophenyl)propane-1,2-diamine

Systemtic Name: N1-(2-azanylethyl)-3-(4-isothiocyanatophenyl)propane-1,2-diamine Openeye Name: N1-(2-aminoethyl)-3-(4-isothiocyanatophenyl)propane-1,2-diamine CAS Name: N1-(2-aminoethyl)-3-(4-isothiocyanatophenyl)propane-1,2-diamine IUPAC Name: 1-N-(2-aminoethyl)-3-(4-isothiocyanatophenyl)propane-1,2-diamine Traditional Name: 2-aminoethyl-[2-amino-3-(4-isothiocyanatophenyl)propyl]amine Formula: C12H18N4S MolecularWeight: 250.36312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CNCCN)N)N=C=S

Isomeric SMILES

C1=CC(=CC=C1CC(CNCCN)N)N=C=S

InChI

InChI=1S/C12H18N4S/c13-5-6-15-8-11(14)7-10-1-3-12(4-2-10)16-9-17/h1-4,11,15H,5-8,13-14H2