3-(1,3-benzothiazol-2-yl)-4-bromanyl-1-(2-diethylaminoethyl)-3-oxidanyl-indol-2-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-4-bromanyl-1-(2-diethylaminoethyl)-3-oxidanyl-indol-2-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-4-bromo-1-(2-diethylaminoethyl)-3-hydroxy-indolin-2-one CAS Name: 3-(1,3-benzothiazol-2-yl)-4-bromo-1-(2-diethylaminoethyl)-3-hydroxy-2-indolone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-4-bromo-1-(2-diethylaminoethyl)-3-hydroxyindol-2-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-bromo-1-(2-diethylaminoethyl)-3-hydroxy-oxindole Formula: C21H22BrN3O2S MolecularWeight: 460.38728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(C(=CC=C2)Br)C(C1=O)(C3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CCN(CC)CCN1C2=C(C(=CC=C2)Br)C(C1=O)(C3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C21H22BrN3O2S/c1-3-24(4-2)12-13-25-16-10-7-8-14(22)18(16)21(27,20(25)26)19-23-15-9-5-6-11-17(15)28-19/h5-11,27H,3-4,12-13H2,1-2H3