4-hexoxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 4-hexoxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 4-hexoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 4-hexoxy-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 4-hexoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C24H31N3O2S MolecularWeight: 425.58684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2S/c1-2-3-4-8-19-29-22-13-11-20(12-14-22)23(28)25-24(30)27-17-15-26(16-18-27)21-9-6-5-7-10-21/h5-7,9-14H,2-4,8,15-19H2,1H3,(H,25,28,30)