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

Systemtic Name: 3-chloranyl-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[4-(1-piperidylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[4-(piperidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Cl

InChI

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