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

Systemtic Name: 5-bromanyl-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[(1-benzyl-4-piperidyl)carbamothioyl]-5-bromo-2-propoxy-benzamide CAS Name: 5-bromo-N-[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)carbamothioyl]-5-bromo-2-propoxybenzamide Traditional Name: N-[(1-benzyl-4-piperidyl)thiocarbamoyl]-5-bromo-2-propoxy-benzamide Formula: C23H28BrN3O2S MolecularWeight: 490.45632

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H28BrN3O2S/c1-2-14-29-21-9-8-18(24)15-20(21)22(28)26-23(30)25-19-10-12-27(13-11-19)16-17-6-4-3-5-7-17/h3-9,15,19H,2,10-14,16H2,1H3,(H2,25,26,28,30)