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

Systemtic Name: 5-bromanyl-N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[3-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[3-(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=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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