2-methylpropyl 2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanylbenzimidazole-1-carboxylate

Systemtic Name: 2-methylpropyl 2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanylbenzimidazole-1-carboxylate Openeye Name: isobutyl 2-[2-(diethylamino)-2-oxo-ethyl]sulfanylbenzimidazole-1-carboxylate CAS Name: 2-[[2-(diethylamino)-2-oxoethyl]thio]-1-benzimidazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[2-(diethylamino)-2-oxoethyl]sulfanylbenzimidazole-1-carboxylate Traditional Name: 2-[[2-(diethylamino)-2-keto-ethyl]thio]benzimidazole-1-carboxylic acid isobutyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=CC=CC=C2N1C(=O)OCC(C)C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=CC=CC=C2N1C(=O)OCC(C)C

InChI

InChI=1S/C18H25N3O3S/c1-5-20(6-2)16(22)12-25-17-19-14-9-7-8-10-15(14)21(17)18(23)24-11-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3