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

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide Openeye Name: N-[(1-benzyl-4-piperidyl)carbamothioyl]-5-bromo-2-isopentyloxy-benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)carbamothioyl]-5-bromo-2-(3-methylbutoxy)benzamide Traditional Name: N-[(1-benzyl-4-piperidyl)thiocarbamoyl]-5-bromo-2-isoamoxy-benzamide Formula: C25H32BrN3O2S MolecularWeight: 518.50948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H32BrN3O2S/c1-18(2)12-15-31-23-9-8-20(26)16-22(23)24(30)28-25(32)27-21-10-13-29(14-11-21)17-19-6-4-3-5-7-19/h3-9,16,18,21H,10-15,17H2,1-2H3,(H2,27,28,30,32)