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

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-3-24-12-14-25(15-13-24)18-8-6-17(7-9-18)22-21(28)23-20(26)16-4-10-19(27-2)11-5-16/h4-11H,3,12-15H2,1-2H3,(H2,22,23,26,28)/p+1