4-oxidanyl-7-[2-[6-(4-phenylbutoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one

Systemtic Name: 4-oxidanyl-7-[2-[6-(4-phenylbutoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one Openeye Name: 4-hydroxy-7-[2-[6-(4-phenylbutoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one CAS Name: 4-hydroxy-7-[2-[6-(4-phenylbutoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 4-hydroxy-7-[2-[6-(4-phenylbutoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one Traditional Name: 4-hydroxy-7-[2-[6-(4-phenylbutoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOCCCCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

Isomeric SMILES

C1=CC=C(C=C1)CCCCOCCCCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

InChI

InChI=1S/C25H34N2O3S/c28-22-14-13-21(24-23(22)27-25(29)31-24)15-17-26-16-7-1-2-8-18-30-19-9-6-12-20-10-4-3-5-11-20/h3-5,10-11,13-14,26,28H,1-2,6-9,12,15-19H2,(H,27,29)