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

Systemtic Name: 3,4,5-trimethoxy-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-trimethoxy-benzamide CAS Name: 3,4,5-trimethoxy-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-trimethoxybenzamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C28H33N4O4S+ MolecularWeight: 521.65102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O4S/c1-34-24-17-21(18-25(35-2)26(24)36-3)27(33)30-28(37)29-22-9-11-23(12-10-22)32-15-13-31(14-16-32)19-20-7-5-4-6-8-20/h4-12,17-18H,13-16,19H2,1-3H3,(H2,29,30,33,37)/p+1