N-[4-[4-(3-bromophenyl)carbonylpiperazin-1-yl]phenyl]-2-(4-tert-butylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[4-[4-(3-bromophenyl)carbonylpiperazin-1-yl]phenyl]-2-(4-tert-butylphenyl)sulfanyl-ethanamide Openeye Name: N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]-2-(4-tert-butylphenyl)sulfanyl-acetamide CAS Name: N-[4-[4-[(3-bromophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-[(4-tert-butylphenyl)thio]acetamide IUPAC Name: N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]-2-(4-tert-butylphenyl)sulfanylacetamide Traditional Name: N-[4-[4-(3-bromobenzoyl)piperazino]phenyl]-2-[(4-tert-butylphenyl)thio]acetamide Formula: C29H32BrN3O2S MolecularWeight: 566.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C29H32BrN3O2S/c1-29(2,3)22-7-13-26(14-8-22)36-20-27(34)31-24-9-11-25(12-10-24)32-15-17-33(18-16-32)28(35)21-5-4-6-23(30)19-21/h4-14,19H,15-18,20H2,1-3H3,(H,31,34)