N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-bromanyl-phenyl]ethanamide

Systemtic Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-bromanyl-phenyl]ethanamide Openeye Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-bromo-phenyl]acetamide CAS Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]-2-bromophenyl]acetamide IUPAC Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-bromophenyl]acetamide Traditional Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]-2-bromo-phenyl]acetamide Formula: C21H23BrN4OS MolecularWeight: 459.40252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43)Br

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43)Br

InChI

InChI=1S/C21H23BrN4OS/c1-15(27)23-19-7-6-16(14-18(19)22)8-9-25-10-12-26(13-11-25)21-17-4-2-3-5-20(17)28-24-21/h2-7,14H,8-13H2,1H3,(H,23,27)