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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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