2-[[[2-(1,3-benzothiazol-2-yl)-2-oxidanyl-ethyl]-methyl-amino]methyl]-N-[(4-chlorophenyl)methyl]-7-methyl-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxamide

Systemtic Name: 2-[[[2-(1,3-benzothiazol-2-yl)-2-oxidanyl-ethyl]-methyl-amino]methyl]-N-[(4-chlorophenyl)methyl]-7-methyl-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxamide Openeye Name: 2-[[[2-(1,3-benzothiazol-2-yl)-2-hydroxy-ethyl]-methyl-amino]methyl]-N-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-thieno[2,3-b]pyridine-5-carboxamide CAS Name: 2-[[[2-(1,3-benzothiazol-2-yl)-2-hydroxyethyl]-methylamino]methyl]-N-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-5-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 2-[[[2-(1,3-benzothiazol-2-yl)-2-hydroxyethyl]-methylamino]methyl]-N-[(4-chlorophenyl)methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide Traditional Name: 2-[[[2-(1,3-benzothiazol-2-yl)-2-hydroxy-ethyl]-methyl-amino]methyl]-N-(4-chlorobenzyl)-4-keto-7-methyl-thieno[2,3-b]pyridine-5-carboxamide Formula: C27H25ClN4O3S2 MolecularWeight: 553.0954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1SC(=C2)CN(C)CC(C3=NC4=CC=CC=C4S3)O)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C=C(C(=O)C2=C1SC(=C2)CN(C)CC(C3=NC4=CC=CC=C4S3)O)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H25ClN4O3S2/c1-31(15-22(33)26-30-21-5-3-4-6-23(21)37-26)13-18-11-19-24(34)20(14-32(2)27(19)36-18)25(35)29-12-16-7-9-17(28)10-8-16/h3-11,14,22,33H,12-13,15H2,1-2H3,(H,29,35)