S-(1H-benzimidazol-2-yl) 2-[(2,4,6-trimethylphenyl)amino]ethanethioate

Systemtic Name: S-(1H-benzimidazol-2-yl) 2-[(2,4,6-trimethylphenyl)amino]ethanethioate Openeye Name: S-(1H-benzimidazol-2-yl) 2-(2,4,6-trimethylanilino)ethanethioate CAS Name: 2-(2,4,6-trimethylanilino)ethanethioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) 2-(2,4,6-trimethylanilino)ethanethioate Traditional Name: 2-mesidinoethanethioic acid S-(1H-benzimidazol-2-yl) ester Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NCC(=O)SC2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NCC(=O)SC2=NC3=CC=CC=C3N2)C

InChI

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