ethyl 1-ethyl-2-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-[[2-(morpholinomethyl)phenyl]methylamino]-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-[[2-(4-morpholinylmethyl)phenyl]methylamino]-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-[[2-(morpholinomethyl)benzyl]amino]ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3=CC=CC=C3CN4CCOCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3=CC=CC=C3CN4CCOCC4

InChI

InChI=1S/C26H32N4O4S/c1-3-30-23-10-9-19(25(32)34-4-2)15-22(23)28-26(30)35-18-24(31)27-16-20-7-5-6-8-21(20)17-29-11-13-33-14-12-29/h5-10,15H,3-4,11-14,16-18H2,1-2H3,(H,27,31)