diethyl-[2-[2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]benzimidazol-1-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]benzimidazol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzimidazol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[2-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]-1-benzimidazolyl]ethyl]ammonium IUPAC Name: diethyl-[2-[2-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzimidazol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[2-[[2-(methylthio)nicotinoyl]amino]benzimidazol-1-yl]ethyl]ammonium Formula: C20H26N5OS+ MolecularWeight: 384.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C20H25N5OS/c1-4-24(5-2)13-14-25-17-11-7-6-10-16(17)22-20(25)23-18(26)15-9-8-12-21-19(15)27-3/h6-12H,4-5,13-14H2,1-3H3,(H,22,23,26)/p+1