N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioyl-2-phenoxy-benzamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioyl-2-phenoxy-benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2-phenoxy-benzamide CAS Name: N-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-2-phenoxybenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2-phenoxybenzamide Traditional Name: 2-phenoxy-N-(4-piperonylpiperazine-1-carbothioyl)benzamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(=O)C4=CC=CC=C4OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(=O)C4=CC=CC=C4OC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O4S/c30-25(21-8-4-5-9-22(21)33-20-6-2-1-3-7-20)27-26(34)29-14-12-28(13-15-29)17-19-10-11-23-24(16-19)32-18-31-23/h1-11,16H,12-15,17-18H2,(H,27,30,34)