N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-[(1-phenethyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-[(1-phenethylbenzimidazol-2-yl)thio]acetamide Formula: C31H36N4O4S MolecularWeight: 560.70694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

InChI

InChI=1S/C31H36N4O4S/c1-3-38-28-21-27(34-16-18-37-19-17-34)29(39-4-2)20-25(28)32-30(36)22-40-31-33-24-12-8-9-13-26(24)35(31)15-14-23-10-6-5-7-11-23/h5-13,20-21H,3-4,14-19,22H2,1-2H3,(H,32,36)