(E)-3-(3-nitrophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-nitrophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-nitrophenyl)-1-[4-(3-thienylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-nitrophenyl)-1-[4-(3-thiophenylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-nitrophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-nitrophenyl)-1-[4-(3-thenyl)piperazino]prop-2-en-1-one Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c22-18(5-4-15-2-1-3-17(12-15)21(23)24)20-9-7-19(8-10-20)13-16-6-11-25-14-16/h1-6,11-12,14H,7-10,13H2/b5-4+