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

Systemtic Name: 2-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Formula: C19H20BrN3S MolecularWeight: 402.3512

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=CC=C2Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=CC=C2Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20BrN3S/c20-15-7-2-1-6-14(15)18(23-12-5-10-21-11-13-23)19-22-16-8-3-4-9-17(16)24-19/h1-4,6-9,18,21H,5,10-13H2