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

Systemtic Name: 5-bromanyl-N-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[2-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C29H30BrN3O3S MolecularWeight: 580.5358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C29H30BrN3O3S/c1-20-13-16-33(17-14-20)28(35)23-9-5-6-10-25(23)31-29(37)32-27(34)24-19-22(30)11-12-26(24)36-18-15-21-7-3-2-4-8-21/h2-12,19-20H,13-18H2,1H3,(H2,31,32,34,37)