3-[4-(1,3-benzothiazol-2-yl)-1,3-dihydroisochromen-4-yl]-N-(phenylmethyl)propan-1-amine

Systemtic Name: 3-[4-(1,3-benzothiazol-2-yl)-1,3-dihydroisochromen-4-yl]-N-(phenylmethyl)propan-1-amine Openeye Name: 3-[4-(1,3-benzothiazol-2-yl)isochroman-4-yl]-N-benzyl-propan-1-amine CAS Name: 3-[4-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-4-yl]-N-(phenylmethyl)-1-propanamine IUPAC Name: 3-[4-(1,3-benzothiazol-2-yl)-1,3-dihydroisochromen-4-yl]-N-benzylpropan-1-amine Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)isochroman-4-yl]propyl-benzyl-amine Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(CO1)(CCCNCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C2=CC=CC=C2C(CO1)(CCCNCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H26N2OS/c1-2-9-20(10-3-1)17-27-16-8-15-26(19-29-18-21-11-4-5-12-22(21)26)25-28-23-13-6-7-14-24(23)30-25/h1-7,9-14,27H,8,15-19H2