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

Systemtic Name: 4-hexoxy-N-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[[2-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-hexoxy-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCC(CC3)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCC(CC3)C

InChI

InChI=1S/C27H35N3O3S/c1-3-4-5-8-19-33-22-13-11-21(12-14-22)25(31)29-27(34)28-24-10-7-6-9-23(24)26(32)30-17-15-20(2)16-18-30/h6-7,9-14,20H,3-5,8,15-19H2,1-2H3,(H2,28,29,31,34)