N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-3-ethoxy-benzamide

Systemtic Name: N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]-3-ethoxy-benzamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3

InChI

InChI=1S/C21H24ClN3O2S/c1-2-27-16-9-6-8-15(14-16)20(26)24-21(28)23-18-11-7-10-17(22)19(18)25-12-4-3-5-13-25/h6-11,14H,2-5,12-13H2,1H3,(H2,23,24,26,28)