N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C22H28N4O3S/c1-4-25-12-14-26(15-13-25)17-10-8-16(9-11-17)23-22(30)24-21(27)20-18(28-2)6-5-7-19(20)29-3/h5-11H,4,12-15H2,1-3H3,(H2,23,24,27,30)/p+1