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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[2-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C27H34BrN3O3S MolecularWeight: 560.54616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34BrN3O3S/c1-3-4-5-8-17-34-24-12-11-20(18-22(24)28)25(32)30-27(35)29-23-10-7-6-9-21(23)26(33)31-15-13-19(2)14-16-31/h6-7,9-12,18-19H,3-5,8,13-17H2,1-2H3,(H2,29,30,32,35)