N'-[2-[(4-isothiocyanatophenyl)methylamino]ethyl]ethane-1,2-diamine

Systemtic Name: N'-[2-[(4-isothiocyanatophenyl)methylamino]ethyl]ethane-1,2-diamine Openeye Name: N'-[2-[(4-isothiocyanatophenyl)methylamino]ethyl]ethane-1,2-diamine CAS Name: N'-[2-[(4-isothiocyanatophenyl)methylamino]ethyl]ethane-1,2-diamine IUPAC Name: N'-[2-[(4-isothiocyanatophenyl)methylamino]ethyl]ethane-1,2-diamine Traditional Name: 2-aminoethyl-[2-[(4-isothiocyanatobenzyl)amino]ethyl]amine Formula: C12H18N4S MolecularWeight: 250.36312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCCNCCN)N=C=S

Isomeric SMILES

C1=CC(=CC=C1CNCCNCCN)N=C=S

InChI

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