(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[2-(phenylthio)ethyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-phenylsulfanylethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[2-(phenylthio)ethyl]piperazino]prop-2-en-1-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=CC=CC=C2)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CCSC2=CC=CC=C2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O3S/c25-22(9-7-18-6-8-20-21(16-18)27-17-26-20)24-12-10-23(11-13-24)14-15-28-19-4-2-1-3-5-19/h1-9,16H,10-15,17H2/b9-7+