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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(2-methylsulfanylimidazol-1-yl)phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(2-methylsulfanylimidazol-1-yl)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-[2-(methylthio)-1-imidazolyl]phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(2-methylsulfanylimidazol-1-yl)phenyl]methanone Traditional Name: [4-[2-(methylthio)imidazol-1-yl]phenyl]-(4-piperonylpiperazino)methanone Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CSC1=NC=CN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N4O3S/c1-31-23-24-8-9-27(23)19-5-3-18(4-6-19)22(28)26-12-10-25(11-13-26)15-17-2-7-20-21(14-17)30-16-29-20/h2-9,14H,10-13,15-16H2,1H3