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

Systemtic Name: 5-bromanyl-2-hexoxy-N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-hexoxy-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-hexoxy-N-[[3-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-hexoxy-N-[[3-(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)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)C

InChI

InChI=1S/C27H34BrN3O3S/c1-3-4-5-6-16-34-24-11-10-21(28)18-23(24)25(32)30-27(35)29-22-9-7-8-20(17-22)26(33)31-14-12-19(2)13-15-31/h7-11,17-19H,3-6,12-16H2,1-2H3,(H2,29,30,32,35)