N-(2-azanylethyl)-N'-[2-[(4-isothiocyanatophenyl)-methyl-amino]ethyl]propane-1,3-diamine

Systemtic Name: N-(2-azanylethyl)-N'-[2-[(4-isothiocyanatophenyl)-methyl-amino]ethyl]propane-1,3-diamine Openeye Name: N-(2-aminoethyl)-N'-[2-(4-isothiocyanato-N-methyl-anilino)ethyl]propane-1,3-diamine CAS Name: N-(2-aminoethyl)-N'-[2-(4-isothiocyanato-N-methylanilino)ethyl]propane-1,3-diamine IUPAC Name: N-(2-aminoethyl)-N'-[2-(4-isothiocyanato-N-methylanilino)ethyl]propane-1,3-diamine Traditional Name: 2-[3-(2-aminoethylamino)propylamino]ethyl-(4-isothiocyanatophenyl)-methyl-amine Formula: C15H25N5S MolecularWeight: 307.4575

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCNCCCNCCN)C1=CC=C(C=C1)N=C=S

Isomeric SMILES

CN(CCNCCCNCCN)C1=CC=C(C=C1)N=C=S

InChI

InChI=1S/C15H25N5S/c1-20(12-11-18-9-2-8-17-10-7-16)15-5-3-14(4-6-15)19-13-21/h3-6,17-18H,2,7-12,16H2,1H3