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

Systemtic Name: 2-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-bromophenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[(4-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=C(C=C2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

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