N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C27H31N4O2S+ MolecularWeight: 475.62564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

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