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

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-4-ethyl-benzamide Formula: C22H28ClN4OS+ MolecularWeight: 432.00192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CC[NH+](CC3)CC)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CC[NH+](CC3)CC)Cl

InChI

InChI=1S/C22H27ClN4OS/c1-3-16-5-7-17(8-6-16)21(28)25-22(29)24-18-9-10-20(19(23)15-18)27-13-11-26(4-2)12-14-27/h5-10,15H,3-4,11-14H2,1-2H3,(H2,24,25,28,29)/p+1