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

Systemtic Name: 2-[1,4-diazepan-1-yl-(5-ethylpyridin-2-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl-(5-ethyl-2-pyridyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(5-ethyl-2-pyridinyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(5-ethylpyridin-2-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl-(5-ethyl-2-pyridyl)methyl]-1,3-benzothiazole Formula: C20H24N4S MolecularWeight: 352.49636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C20H24N4S/c1-2-15-8-9-17(22-14-15)19(24-12-5-10-21-11-13-24)20-23-16-6-3-4-7-18(16)25-20/h3-4,6-9,14,19,21H,2,5,10-13H2,1H3