(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(3-thienylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(3-thiophenylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(3-thenyl)piperazino]prop-2-en-1-one Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H19N3O5S/c23-19(21-6-4-20(5-7-21)11-14-3-8-28-12-14)2-1-15-9-17-18(27-13-26-17)10-16(15)22(24)25/h1-3,8-10,12H,4-7,11,13H2/b2-1+