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

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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