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

Systemtic Name: 4-butoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-4-butoxy-benzamide CAS Name: 4-butoxy-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-4-butoxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-4-butoxy-benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-2-3-17-28-21-11-9-20(10-12-21)22(27)24-23(29)26-15-13-25(14-16-26)18-19-7-5-4-6-8-19/h4-12H,2-3,13-18H2,1H3,(H,24,27,29)