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

Systemtic Name: 3-chloranyl-4-ethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[[4-(1-piperidylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[[4-(piperidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2S/c1-2-28-20-11-8-17(14-19(20)23)21(27)25-22(29)24-18-9-6-16(7-10-18)15-26-12-4-3-5-13-26/h6-11,14H,2-5,12-13,15H2,1H3,(H2,24,25,27,29)