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

Systemtic Name: 4-chloranyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-chloro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-chloro-N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3OS/c21-17-8-6-16(7-9-17)19(25)23-20(26)22-18-10-4-15(5-11-18)14-24-12-2-1-3-13-24/h4-11H,1-3,12-14H2,(H2,22,23,25,26)/p+1