2,5-bis(chloranyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,5-bis(chloranyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2,5-dichloro-N-[[4-(1-piperidylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2,5-dichloro-N-[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,5-dichloro-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2,5-dichloro-N-[[4-(piperidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H21Cl2N3OS MolecularWeight: 422.37124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2N3OS/c21-15-6-9-18(22)17(12-15)19(26)24-20(27)23-16-7-4-14(5-8-16)13-25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H2,23,24,26,27)