2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[4-(3-bromophenyl)carbonylpiperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[4-(3-bromophenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-[4-[(3-bromophenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-[4-(3-bromobenzoyl)piperazino]phenyl]acetamide Formula: C26H23BrN4O2S2 MolecularWeight: 567.52042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4S3)C(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4S3)C(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C26H23BrN4O2S2/c27-19-5-3-4-18(16-19)25(33)31-14-12-30(13-15-31)21-10-8-20(9-11-21)28-24(32)17-34-26-29-22-6-1-2-7-23(22)35-26/h1-11,16H,12-15,17H2,(H,28,32)