ethyl 1-ethyl-2-[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(benzylcarbamoylamino)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(benzylcarbamoylamino)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(benzylcarbamoylamino)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O4S/c1-3-26-18-11-10-16(20(28)30-4-2)12-17(18)24-22(26)31-14-19(27)25-21(29)23-13-15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3,(H2,23,25,27,29)