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

Systemtic Name: 2-[1,4-diazepan-1-yl(quinolin-2-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl(2-quinolyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl(2-quinolinyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl(quinolin-2-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl(2-quinolyl)methyl]-1,3-benzothiazole Formula: C22H22N4S MolecularWeight: 374.50188

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=NC3=CC=CC=C3C=C2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CNCCN(C1)C(C2=NC3=CC=CC=C3C=C2)C4=NC5=CC=CC=C5S4

InChI

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