2-chloranyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-chloranyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-chloro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2-chloro-N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-chloro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H23ClN3OS+ MolecularWeight: 388.93412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClN3OS/c21-18-7-3-2-6-17(18)19(25)23-20(26)22-16-10-8-15(9-11-16)14-24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23,25,26)/p+1