N-(2,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=[NH+]C3=C(N2)C=C(C=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=[NH+]C3=C(N2)C=C(C=C3)C)C

InChI

InChI=1S/C18H19N3OS/c1-11-4-6-14(13(3)8-11)19-17(22)10-23-18-20-15-7-5-12(2)9-16(15)21-18/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)/p+1