2-methoxy-3-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-methoxy-3-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-methoxy-3-methyl-N-[[4-(1-piperidylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2-methoxy-3-methyl-N-[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methoxy-3-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-methoxy-3-methyl-N-[[4-(piperidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

InChI

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