2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-[4-(4-nitrophenyl)piperazino]butan-1-one Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O3S/c1-3-24(4-2,17-22-25-20-7-5-6-8-21(20)32-22)23(29)27-15-13-26(14-16-27)18-9-11-19(12-10-18)28(30)31/h5-12H,3-4,13-17H2,1-2H3