S-(1H-benzimidazol-2-yl) 2-[(2,3-dimethylphenyl)amino]ethanethioate

Systemtic Name: S-(1H-benzimidazol-2-yl) 2-[(2,3-dimethylphenyl)amino]ethanethioate Openeye Name: S-(1H-benzimidazol-2-yl) 2-(2,3-dimethylanilino)ethanethioate CAS Name: 2-(2,3-dimethylanilino)ethanethioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) 2-(2,3-dimethylanilino)ethanethioate Traditional Name: 2-(2,3-dimethylanilino)ethanethioic acid S-(1H-benzimidazol-2-yl) ester Formula: C17H17N3OS MolecularWeight: 311.40138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3OS/c1-11-6-5-9-13(12(11)2)18-10-16(21)22-17-19-14-7-3-4-8-15(14)20-17/h3-9,18H,10H2,1-2H3,(H,19,20)