2,3-bis(chloranyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,3-bis(chloranyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2,3-dichloro-N-[[4-(1-piperidylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2,3-dichloro-N-[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,3-dichloro-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2,3-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/c21-17-6-4-5-16(18(17)22)19(26)24-20(27)23-15-9-7-14(8-10-15)13-25-11-2-1-3-12-25/h4-10H,1-3,11-13H2,(H2,23,24,26,27)