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

Systemtic Name: 3-(2-methylpropoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-isobutoxy-N-[[4-(1-piperidylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-(2-methylpropoxy)-N-[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-isobutoxy-N-[[4-(piperidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

InChI

InChI=1S/C24H31N3O2S/c1-18(2)17-29-22-8-6-7-20(15-22)23(28)26-24(30)25-21-11-9-19(10-12-21)16-27-13-4-3-5-14-27/h6-12,15,18H,3-5,13-14,16-17H2,1-2H3,(H2,25,26,28,30)