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

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[(5-bromo-2-methoxyphenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[(5-bromo-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Formula: C20H22BrN3OS MolecularWeight: 432.37718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C20H22BrN3OS/c1-25-17-8-7-14(21)13-15(17)19(24-11-4-9-22-10-12-24)20-23-16-5-2-3-6-18(16)26-20/h2-3,5-8,13,19,22H,4,9-12H2,1H3