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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[4-(4-bromophenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[4-(4-bromobenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[4-(4-bromobenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-[4-(4-bromobenzoyl)piperazino]phenyl]acetamide Formula: C26H23BrN4O3S MolecularWeight: 551.45482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4O3)C(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4O3)C(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H23BrN4O3S/c27-19-7-5-18(6-8-19)25(33)31-15-13-30(14-16-31)21-11-9-20(10-12-21)28-24(32)17-35-26-29-22-3-1-2-4-23(22)34-26/h1-12H,13-17H2,(H,28,32)