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

Systemtic Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(5-nitrothiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(5-nitro-2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(5-nitro-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(5-nitrothiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperazino]-3-(5-nitro-2-thienyl)prop-2-en-1-one Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)C=CC4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)/C=C/C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S2/c23-16(7-5-13-6-8-17(26-13)22(24)25)20-9-11-21(12-10-20)18-19-14-3-1-2-4-15(14)27-18/h1-8H,9-12H2/b7-5+