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

Systemtic Name: 4-ethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-ethoxy-N-[[4-(1-piperidylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-ethoxy-N-[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-ethoxy-N-[[4-(piperidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

InChI

InChI=1S/C22H27N3O2S/c1-2-27-20-12-8-18(9-13-20)21(26)24-22(28)23-19-10-6-17(7-11-19)16-25-14-4-3-5-15-25/h6-13H,2-5,14-16H2,1H3,(H2,23,24,26,28)