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

Systemtic Name: 3,4-dimethoxy-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-dimethoxy-benzamide CAS Name: 3,4-dimethoxy-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-dimethoxybenzamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C27H31N4O3S+ MolecularWeight: 491.62504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C27H30N4O3S/c1-33-24-13-8-21(18-25(24)34-2)26(32)29-27(35)28-22-9-11-23(12-10-22)31-16-14-30(15-17-31)19-20-6-4-3-5-7-20/h3-13,18H,14-17,19H2,1-2H3,(H2,28,29,32,35)/p+1