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

Systemtic Name: 2-[1,4-diazepan-1-yl(pyridin-4-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl(4-pyridyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl(pyridin-4-yl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl(pyridin-4-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl(4-pyridyl)methyl]-1,3-benzothiazole Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=NC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=NC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H20N4S/c1-2-5-16-15(4-1)21-18(23-16)17(14-6-9-20-10-7-14)22-12-3-8-19-11-13-22/h1-2,4-7,9-10,17,19H,3,8,11-13H2