N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]-4-isopropoxy-benzamide CAS Name: N-[[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: N-[[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]thiocarbamoyl]-4-isopropoxy-benzamide Formula: C28H32FN4O2S+ MolecularWeight: 507.642683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C28H31FN4O2S/c1-20(2)35-25-13-7-21(8-14-25)27(34)31-28(36)30-23-9-11-24(12-10-23)33-17-15-32(16-18-33)19-22-5-3-4-6-26(22)29/h3-14,20H,15-19H2,1-2H3,(H2,30,31,34,36)/p+1