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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)C

InChI

InChI=1S/C26H33N3O3S/c1-3-4-5-17-32-23-11-9-20(10-12-23)24(30)28-26(33)27-22-8-6-7-21(18-22)25(31)29-15-13-19(2)14-16-29/h6-12,18-19H,3-5,13-17H2,1-2H3,(H2,27,28,30,33)