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

Systemtic Name: (Z)-1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Openeye Name: (Z)-1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one CAS Name: (Z)-1-[4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(4-nitrophenyl)-2-propen-1-one IUPAC Name: (Z)-1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Traditional Name: (Z)-1-[4-(4-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=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)/C=C\C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c1-2-17-4-3-5-19-21(17)23-22(30-19)25-14-12-24(13-15-25)20(27)11-8-16-6-9-18(10-7-16)26(28)29/h3-11H,2,12-15H2,1H3/b11-8-