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

Systemtic Name: 4-oxidanyl-7-[(1R)-1-oxidanyl-2-[2-[4-[(propan-2-ylamino)methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one Openeye Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[4-[(isopropylamino)methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one CAS Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[4-[(propan-2-ylamino)methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[4-[(propan-2-ylamino)methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one Traditional Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[4-[(isopropylamino)methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC=C(C=C1)CCNCC(C2=C3C(=C(C=C2)O)NC(=O)S3)O

Isomeric SMILES

CC(C)NCC1=CC=C(C=C1)CCNC[C@@H](C2=C3C(=C(C=C2)O)NC(=O)S3)O

InChI

InChI=1S/C21H27N3O3S/c1-13(2)23-11-15-5-3-14(4-6-15)9-10-22-12-18(26)16-7-8-17(25)19-20(16)28-21(27)24-19/h3-8,13,18,22-23,25-26H,9-12H2,1-2H3,(H,24,27)/t18-/m0/s1