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

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C22H28ClN4O3S+ MolecularWeight: 464.00072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O3S/c1-4-26-9-11-27(12-10-26)18-7-6-16(14-17(18)23)24-22(31)25-21(28)15-5-8-19(29-2)20(13-15)30-3/h5-8,13-14H,4,9-12H2,1-3H3,(H2,24,25,28,31)/p+1