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

Systemtic Name: 4-ethoxy-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 4-ethoxy-N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C27H31N4O2S+ MolecularWeight: 475.62564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2S/c1-2-33-25-14-8-22(9-15-25)26(32)29-27(34)28-23-10-12-24(13-11-23)31-18-16-30(17-19-31)20-21-6-4-3-5-7-21/h3-15H,2,16-20H2,1H3,(H2,28,29,32,34)/p+1