3,4,5-triethoxy-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: 3,4,5-triethoxy-N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C31H39N4O4S+ MolecularWeight: 563.73076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C31H38N4O4S/c1-4-37-27-20-24(21-28(38-5-2)29(27)39-6-3)30(36)33-31(40)32-25-12-14-26(15-13-25)35-18-16-34(17-19-35)22-23-10-8-7-9-11-23/h7-15,20-21H,4-6,16-19,22H2,1-3H3,(H2,32,33,36,40)/p+1