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

Systemtic Name: 5-bromanyl-N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[3-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C24H28BrN3O3S MolecularWeight: 518.46642

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)C

InChI

InChI=1S/C24H28BrN3O3S/c1-3-13-31-21-8-7-18(25)15-20(21)22(29)27-24(32)26-19-6-4-5-17(14-19)23(30)28-11-9-16(2)10-12-28/h4-8,14-16H,3,9-13H2,1-2H3,(H2,26,27,29,32)