2-[1,4-diazepan-1-yl(isoquinolin-6-yl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[1,4-diazepan-1-yl(isoquinolin-6-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl(6-isoquinolyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl(6-isoquinolinyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl(isoquinolin-6-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl(6-isoquinolyl)methyl]-1,3-benzothiazole Formula: C22H22N4S MolecularWeight: 374.50188

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N4S/c1-2-5-20-19(4-1)25-22(27-20)21(26-12-3-9-23-11-13-26)17-6-7-18-15-24-10-8-16(18)14-17/h1-2,4-8,10,14-15,21,23H,3,9,11-13H2