2-[2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]benzimidazol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]benzimidazol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]benzimidazol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-1-benzimidazolyl]ethyl-diethylammonium IUPAC Name: 2-[2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]benzimidazol-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]benzimidazol-1-yl]ethyl-diethyl-ammonium Formula: C18H28N5O2S+ MolecularWeight: 378.51222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)CCSCC(=O)N

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)CCSCC(=O)N

InChI

InChI=1S/C18H27N5O2S/c1-3-22(4-2)10-11-23-15-8-6-5-7-14(15)20-18(23)21-17(25)9-12-26-13-16(19)24/h5-8H,3-4,9-13H2,1-2H3,(H2,19,24)(H,20,21,25)/p+1