N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[3-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C26H33N3O3S MolecularWeight: 467.62352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)C

InChI

InChI=1S/C26H33N3O3S/c1-3-4-7-17-32-23-12-6-5-11-22(23)24(30)28-26(33)27-21-10-8-9-20(18-21)25(31)29-15-13-19(2)14-16-29/h5-6,8-12,18-19H,3-4,7,13-17H2,1-2H3,(H2,27,28,30,33)