ethyl 3-(1H-benzimidazol-2-ylmethylcarbamothioylamino)benzoate

Systemtic Name: ethyl 3-(1H-benzimidazol-2-ylmethylcarbamothioylamino)benzoate Openeye Name: ethyl 3-(1H-benzimidazol-2-ylmethylcarbamothioylamino)benzoate CAS Name: 3-[[(1H-benzimidazol-2-ylmethylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(1H-benzimidazol-2-ylmethylcarbamothioylamino)benzoate Traditional Name: 3-(1H-benzimidazol-2-ylmethylthiocarbamoylamino)benzoic acid ethyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H18N4O2S/c1-2-24-17(23)12-6-5-7-13(10-12)20-18(25)19-11-16-21-14-8-3-4-9-15(14)22-16/h3-10H,2,11H2,1H3,(H,21,22)(H2,19,20,25)