[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O3S/c1-17(23-25-19-6-2-3-7-22(19)33-23)26-12-14-28(15-13-26)24(30)18-8-9-20(21(16-18)29(31)32)27-10-4-5-11-27/h2-3,6-9,16-17H,4-5,10-15H2,1H3