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

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[3-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C26H32BrN3O3S MolecularWeight: 546.51958

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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)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32BrN3O3S/c1-17(2)11-14-33-23-8-7-20(27)16-22(23)24(31)29-26(34)28-21-6-4-5-19(15-21)25(32)30-12-9-18(3)10-13-30/h4-8,15-18H,9-14H2,1-3H3,(H2,28,29,31,34)