5-bromanyl-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-2-propan-2-yloxy-benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-5-bromo-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-5-bromo-2-propan-2-yloxybenzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-5-bromo-2-isopropoxy-benzamide Formula: C28H30BrN3O2S MolecularWeight: 552.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30BrN3O2S/c1-20(2)34-25-14-13-23(29)19-24(25)27(33)30-28(35)32-17-15-31(16-18-32)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19-20,26H,15-18H2,1-2H3,(H,30,33,35)