N-[3-(3-bromophenyl)sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide

Systemtic Name: N-[3-(3-bromophenyl)sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[2-(4-benzhydrylpiperazin-1-yl)-1-[(3-bromophenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[3-[(3-bromophenyl)thio]-1-[4-(diphenylmethyl)-1-piperazinyl]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[1-(4-benzhydrylpiperazin-1-yl)-3-(3-bromophenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[2-(4-benzhydrylpiperazino)-1-[[(3-bromophenyl)thio]methyl]-2-keto-ethyl]acetamide Formula: C28H30BrN3O2S MolecularWeight: 552.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC(=CC=C1)Br)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC(CSC1=CC(=CC=C1)Br)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30BrN3O2S/c1-21(33)30-26(20-35-25-14-8-13-24(29)19-25)28(34)32-17-15-31(16-18-32)27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,19,26-27H,15-18,20H2,1H3,(H,30,33)