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

Systemtic Name: (Z)-1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Openeye Name: (Z)-1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one CAS Name: (Z)-1-[4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(4-nitrophenyl)-2-propen-1-one IUPAC Name: (Z)-1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Traditional Name: (Z)-1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]-3-(4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S/c1-2-16-5-9-19-20(15-16)30-22(23-19)25-13-11-24(12-14-25)21(27)10-6-17-3-7-18(8-4-17)26(28)29/h3-10,15H,2,11-14H2,1H3/b10-6-