3-bromanyl-4-ethoxy-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide Openeye Name: N-[(1-benzyl-4-piperidyl)carbamothioyl]-3-bromo-4-ethoxy-benzamide CAS Name: 3-bromo-4-ethoxy-N-[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)carbamothioyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[(1-benzyl-4-piperidyl)thiocarbamoyl]-3-bromo-4-ethoxy-benzamide Formula: C22H26BrN3O2S MolecularWeight: 476.42974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O2S/c1-2-28-20-9-8-17(14-19(20)23)21(27)25-22(29)24-18-10-12-26(13-11-18)15-16-6-4-3-5-7-16/h3-9,14,18H,2,10-13,15H2,1H3,(H2,24,25,27,29)