4-heptoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 4-heptoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-4-heptoxy-benzamide CAS Name: 4-heptoxy-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-4-heptoxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-4-heptoxy-benzamide Formula: C26H35N3O2S MolecularWeight: 453.64

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O2S/c1-2-3-4-5-9-20-31-24-14-12-23(13-15-24)25(30)27-26(32)29-18-16-28(17-19-29)21-22-10-7-6-8-11-22/h6-8,10-15H,2-5,9,16-21H2,1H3,(H,27,30,32)