4-[(Z)-C-ethyl-N-[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]carbonimidoyl]phenolate

Systemtic Name: 4-[(Z)-C-ethyl-N-[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]carbonimidoyl]phenolate Openeye Name: 4-[(Z)-C-ethyl-N-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]carbonimidoyl]phenolate CAS Name: 4-[(1Z)-1-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]propyl]phenolate IUPAC Name: 4-[(Z)-C-ethyl-N-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]carbonimidoyl]phenolate Traditional Name: 4-[(Z)-C-ethyl-N-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]amino]carbonimidoyl]phenolate Formula: C20H22N4O2S MolecularWeight: 382.47928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)CSC1=[N+](C2=CC=CC=C2N1)CC)C3=CC=C(C=C3)[O-]

Isomeric SMILES

CC/C(=N/NC(=O)CSC1=[N+](C2=CC=CC=C2N1)CC)/C3=CC=C(C=C3)[O-]

InChI

InChI=1S/C20H22N4O2S/c1-3-16(14-9-11-15(25)12-10-14)22-23-19(26)13-27-20-21-17-7-5-6-8-18(17)24(20)4-2/h5-12H,3-4,13H2,1-2H3,(H2,22,23,25,26)