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

Systemtic Name: 3-bromanyl-4-phenethyloxy-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide Openeye Name: N-[(1-benzyl-4-piperidyl)carbamothioyl]-3-bromo-4-phenethyloxy-benzamide CAS Name: 3-bromo-4-phenethyloxy-N-[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)carbamothioyl]-3-bromo-4-phenethyloxybenzamide Traditional Name: N-[(1-benzyl-4-piperidyl)thiocarbamoyl]-3-bromo-4-phenethyloxy-benzamide Formula: C28H30BrN3O2S MolecularWeight: 552.5257

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C28H30BrN3O2S/c29-25-19-23(11-12-26(25)34-18-15-21-7-3-1-4-8-21)27(33)31-28(35)30-24-13-16-32(17-14-24)20-22-9-5-2-6-10-22/h1-12,19,24H,13-18,20H2,(H2,30,31,33,35)