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

Systemtic Name: 2-phenethyloxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-2-phenethyloxy-benzamide CAS Name: 2-phenethyloxy-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-2-phenethyloxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-2-phenethyloxy-benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3OCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3OCCC4=CC=CC=C4

InChI

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