N-[2-(2-azanylethylamino)ethyl]-N-isothiocyanato-benzamide

Systemtic Name: N-[2-(2-azanylethylamino)ethyl]-N-isothiocyanato-benzamide Openeye Name: N-[2-(2-aminoethylamino)ethyl]-N-isothiocyanato-benzamide CAS Name: N-[2-(2-aminoethylamino)ethyl]-N-isothiocyanatobenzamide IUPAC Name: N-[2-(2-aminoethylamino)ethyl]-N-isothiocyanatobenzamide Traditional Name: N-[2-(2-aminoethylamino)ethyl]-N-isothiocyanato-benzamide Formula: C12H16N4OS MolecularWeight: 264.34664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(CCNCCN)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(CCNCCN)N=C=S

InChI

InChI=1S/C12H16N4OS/c13-6-7-14-8-9-16(15-10-18)12(17)11-4-2-1-3-5-11/h1-5,14H,6-9,13H2