1-[6-chloranyl-2-[5-methoxy-2-[3-(propan-2-ylamino)propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone

Systemtic Name: 1-[6-chloranyl-2-[5-methoxy-2-[3-(propan-2-ylamino)propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Openeye Name: 1-[6-chloro-2-[2-[3-(isopropylamino)propoxy]-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone CAS Name: 1-[6-chloro-2-[5-methoxy-2-[3-(propan-2-ylamino)propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone IUPAC Name: 1-[6-chloro-2-[5-methoxy-2-[3-(propan-2-ylamino)propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Traditional Name: 1-[6-chloro-2-[2-[3-(isopropylamino)propoxy]-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCOC1=C(C=C(C=C1)OC)C2N(C3=C(S2)C=C(C=C3)Cl)C(=O)C

Isomeric SMILES

CC(C)NCCCOC1=C(C=C(C=C1)OC)C2N(C3=C(S2)C=C(C=C3)Cl)C(=O)C

InChI

InChI=1S/C22H27ClN2O3S/c1-14(2)24-10-5-11-28-20-9-7-17(27-4)13-18(20)22-25(15(3)26)19-8-6-16(23)12-21(19)29-22/h6-9,12-14,22,24H,5,10-11H2,1-4H3