4-oxidanyl-7-[(1R)-1-oxidanyl-2-[2-[3-[(2-pyridin-2-ylethylamino)methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one

Systemtic Name: 4-oxidanyl-7-[(1R)-1-oxidanyl-2-[2-[3-[(2-pyridin-2-ylethylamino)methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one Openeye Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[[2-(2-pyridyl)ethylamino]methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one CAS Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[[2-(2-pyridinyl)ethylamino]methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[(2-pyridin-2-ylethylamino)methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one Traditional Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[[2-(2-pyridyl)ethylamino]methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNCC2=CC=CC(=C2)CCNCC(C3=C4C(=C(C=C3)O)NC(=O)S4)O

Isomeric SMILES

C1=CC=NC(=C1)CCNCC2=CC=CC(=C2)CCNC[C@@H](C3=C4C(=C(C=C3)O)NC(=O)S4)O

InChI

InChI=1S/C25H28N4O3S/c30-21-8-7-20(24-23(21)29-25(32)33-24)22(31)16-27-12-9-17-4-3-5-18(14-17)15-26-13-10-19-6-1-2-11-28-19/h1-8,11,14,22,26-27,30-31H,9-10,12-13,15-16H2,(H,29,32)/t22-/m0/s1