2-[(5-bromanylthiophen-2-yl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[(5-bromo-2-thienyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[(5-bromo-2-thiophenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(5-bromothiophen-2-yl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[(5-bromo-2-thienyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Formula: C17H18BrN3S2 MolecularWeight: 408.37892

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=C(S2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(S2)Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H18BrN3S2/c18-15-7-6-14(22-15)16(21-10-3-8-19-9-11-21)17-20-12-4-1-2-5-13(12)23-17/h1-2,4-7,16,19H,3,8-11H2