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

Systemtic Name: 2-[1,4-diazepan-1-yl-(3-phenoxyphenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl-(3-phenoxyphenyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(3-phenoxyphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(3-phenoxyphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl-(3-phenoxyphenyl)methyl]-1,3-benzothiazole Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H25N3OS/c1-2-9-20(10-3-1)29-21-11-6-8-19(18-21)24(28-16-7-14-26-15-17-28)25-27-22-12-4-5-13-23(22)30-25/h1-6,8-13,18,24,26H,7,14-17H2