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

Systemtic Name: 2-[1,4-diazepan-1-yl-(2-ethoxyphenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl-(2-ethoxyphenyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(2-ethoxyphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(2-ethoxyphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl(o-phenetyl)methyl]-1,3-benzothiazole Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C21H25N3OS/c1-2-25-18-10-5-3-8-16(18)20(24-14-7-12-22-13-15-24)21-23-17-9-4-6-11-19(17)26-21/h3-6,8-11,20,22H,2,7,12-15H2,1H3