4-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylamino]benzamide

Systemtic Name: 4-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylamino]benzamide Openeye Name: 4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]amino]benzamide CAS Name: 4-[[2-(1H-benzimidazol-3-ium-2-ylthio)-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]amino]benzamide Traditional Name: 4-[[2-(1H-benzimidazol-3-ium-2-ylthio)acetyl]amino]benzamide Formula: C16H15N4O2S+ MolecularWeight: 327.3809

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C16H14N4O2S/c17-15(22)10-5-7-11(8-6-10)18-14(21)9-23-16-19-12-3-1-2-4-13(12)20-16/h1-8H,9H2,(H2,17,22)(H,18,21)(H,19,20)/p+1