2-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,3-benzodioxol-5-yl(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H21N3O2S/c1-2-5-18-15(4-1)22-20(26-18)19(23-10-3-8-21-9-11-23)14-6-7-16-17(12-14)25-13-24-16/h1-2,4-7,12,19,21H,3,8-11,13H2