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

Systemtic Name: 3-chloranyl-4-methoxy-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-chloro-4-methoxy-benzamide CAS Name: 3-chloro-4-methoxy-N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3-chloro-4-methoxy-benzamide Formula: C26H28ClN4O2S+ MolecularWeight: 496.04412

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN4O2S/c1-33-24-12-7-20(17-23(24)27)25(32)29-26(34)28-21-8-10-22(11-9-21)31-15-13-30(14-16-31)18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H2,28,29,32,34)/p+1