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

Systemtic Name: N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C28H33N4OS+ MolecularWeight: 473.65282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H32N4OS/c1-21(2)23-8-10-24(11-9-23)27(33)30-28(34)29-25-12-14-26(15-13-25)32-18-16-31(17-19-32)20-22-6-4-3-5-7-22/h3-15,21H,16-20H2,1-2H3,(H2,29,30,33,34)/p+1