(E)-1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]-3-(3-nitrophenyl)prop-2-en-1-one Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c1-2-16-6-8-19-20(15-16)30-22(23-19)25-12-10-24(11-13-25)21(27)9-7-17-4-3-5-18(14-17)26(28)29/h3-9,14-15H,2,10-13H2,1H3/b9-7+