2-[(5-bromanyl-2-ethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[(5-bromanyl-2-ethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[(5-bromo-2-ethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[(5-bromo-2-ethoxyphenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(5-bromo-2-ethoxyphenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[(5-bromo-2-ethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Formula: C21H24BrN3OS MolecularWeight: 446.40376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C21H24BrN3OS/c1-2-26-18-9-8-15(22)14-16(18)20(25-12-5-10-23-11-13-25)21-24-17-6-3-4-7-19(17)27-21/h3-4,6-9,14,20,23H,2,5,10-13H2,1H3