1,3-dimethyl-N-phenyl-benzimidazol-3-ium-2-carbothioamide

Systemtic Name: 1,3-dimethyl-N-phenyl-benzimidazol-3-ium-2-carbothioamide Openeye Name: 1,3-dimethyl-N-phenyl-benzimidazol-3-ium-2-carbothioamide CAS Name: 1,3-dimethyl-N-phenyl-2-benzimidazol-3-iumcarbothioamide IUPAC Name: 1,3-dimethyl-N-phenylbenzimidazol-3-ium-2-carbothioamide Traditional Name: 1,3-dimethyl-N-phenyl-benzimidazol-3-ium-2-carbothioamide Formula: C16H16N3S+ MolecularWeight: 282.38334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1C(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1C(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C16H15N3S/c1-18-13-10-6-7-11-14(13)19(2)16(18)15(20)17-12-8-4-3-5-9-12/h3-11H,1-2H3/p+1