N-[2-[(5-acetamidopyridin-2-yl)amino]ethyl]-7-oxidanyl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide

Systemtic Name: N-[2-[(5-acetamidopyridin-2-yl)amino]ethyl]-7-oxidanyl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide Openeye Name: N-[2-[(5-acetamido-2-pyridyl)amino]ethyl]-7-hydroxy-2-(2-thienyl)-1H-benzimidazole-4-carboxamide CAS Name: N-[2-[(5-acetamido-2-pyridinyl)amino]ethyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide IUPAC Name: N-[2-[(5-acetamidopyridin-2-yl)amino]ethyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide Traditional Name: N-[2-[(5-acetamido-2-pyridyl)amino]ethyl]-7-hydroxy-2-(2-thienyl)-1H-benzimidazole-4-carboxamide Formula: C21H20N6O3S MolecularWeight: 436.4869

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CN=C(C=C1)NCCNC(=O)C2=C3C(=C(C=C2)O)NC(=N3)C4=CC=CS4

Isomeric SMILES

CC(=O)NC1=CN=C(C=C1)NCCNC(=O)C2=C3C(=C(C=C2)O)NC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H20N6O3S/c1-12(28)25-13-4-7-17(24-11-13)22-8-9-23-21(30)14-5-6-15(29)19-18(14)26-20(27-19)16-3-2-10-31-16/h2-7,10-11,29H,8-9H2,1H3,(H,22,24)(H,23,30)(H,25,28)(H,26,27)