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

Systemtic Name: 3-phenethyloxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3-phenethyloxy-benzamide CAS Name: 3-phenethyloxy-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3-phenethyloxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3-phenethyloxy-benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S/c31-26(24-12-7-13-25(20-24)32-19-14-22-8-3-1-4-9-22)28-27(33)30-17-15-29(16-18-30)21-23-10-5-2-6-11-23/h1-13,20H,14-19,21H2,(H,28,31,33)