3-bromanyl-4-hexoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3-bromo-4-hexoxy-benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3-bromo-4-hexoxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3-bromo-4-hexoxy-benzamide Formula: C25H32BrN3O2S MolecularWeight: 518.50948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C25H32BrN3O2S/c1-2-3-4-8-17-31-23-12-11-21(18-22(23)26)24(30)27-25(32)29-15-13-28(14-16-29)19-20-9-6-5-7-10-20/h5-7,9-12,18H,2-4,8,13-17,19H2,1H3,(H,27,30,32)