N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-6-pyridin-4-yl-1,3-benzothiazol-2-amine

Systemtic Name: N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-6-pyridin-4-yl-1,3-benzothiazol-2-amine Openeye Name: N-(isochroman-3-ylmethyl)-6-(4-pyridyl)-1,3-benzothiazol-2-amine CAS Name: N-(3,4-dihydro-1H-2-benzopyran-3-ylmethyl)-6-pyridin-4-yl-1,3-benzothiazol-2-amine IUPAC Name: N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-6-pyridin-4-yl-1,3-benzothiazol-2-amine Traditional Name: isochroman-3-ylmethyl-[6-(4-pyridyl)-1,3-benzothiazol-2-yl]amine Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C21)CNC3=NC4=C(S3)C=C(C=C4)C5=CC=NC=C5

Isomeric SMILES

C1C(OCC2=CC=CC=C21)CNC3=NC4=C(S3)C=C(C=C4)C5=CC=NC=C5

InChI

InChI=1S/C22H19N3OS/c1-2-4-18-14-26-19(11-16(18)3-1)13-24-22-25-20-6-5-17(12-21(20)27-22)15-7-9-23-10-8-15/h1-10,12,19H,11,13-14H2,(H,24,25)