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

Systemtic Name: 5-bromanyl-2-butoxy-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide Openeye Name: N-[(1-benzyl-4-piperidyl)carbamothioyl]-5-bromo-2-butoxy-benzamide CAS Name: 5-bromo-2-butoxy-N-[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)carbamothioyl]-5-bromo-2-butoxybenzamide Traditional Name: N-[(1-benzyl-4-piperidyl)thiocarbamoyl]-5-bromo-2-butoxy-benzamide Formula: C24H30BrN3O2S MolecularWeight: 504.4829

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H30BrN3O2S/c1-2-3-15-30-22-10-9-19(25)16-21(22)23(29)27-24(31)26-20-11-13-28(14-12-20)17-18-7-5-4-6-8-18/h4-10,16,20H,2-3,11-15,17H2,1H3,(H2,26,27,29,31)