[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [2-(phenylthio)-3-pyridyl]-(4-piperonylpiperazino)methanone Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(N=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(N=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C24H23N3O3S/c28-24(20-7-4-10-25-23(20)31-19-5-2-1-3-6-19)27-13-11-26(12-14-27)16-18-8-9-21-22(15-18)30-17-29-21/h1-10,15H,11-14,16-17H2