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

Systemtic Name: 2-[1,4-diazepan-1-yl-(4-phenylphenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl-(4-phenylphenyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(4-phenylphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(4-phenylphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl-(4-phenylphenyl)methyl]-1,3-benzothiazole Formula: C25H25N3S MolecularWeight: 399.5511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3S/c1-2-7-19(8-3-1)20-11-13-21(14-12-20)24(28-17-6-15-26-16-18-28)25-27-22-9-4-5-10-23(22)29-25/h1-5,7-14,24,26H,6,15-18H2