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

Systemtic Name: 5-bromanyl-2-hexoxy-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide Openeye Name: N-[(1-benzyl-4-piperidyl)carbamothioyl]-5-bromo-2-hexoxy-benzamide CAS Name: 5-bromo-2-hexoxy-N-[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)carbamothioyl]-5-bromo-2-hexoxybenzamide Traditional Name: N-[(1-benzyl-4-piperidyl)thiocarbamoyl]-5-bromo-2-hexoxy-benzamide Formula: C26H34BrN3O2S MolecularWeight: 532.53606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C26H34BrN3O2S/c1-2-3-4-8-17-32-24-12-11-21(27)18-23(24)25(31)29-26(33)28-22-13-15-30(16-14-22)19-20-9-6-5-7-10-20/h5-7,9-12,18,22H,2-4,8,13-17,19H2,1H3,(H2,28,29,31,33)