[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-(3-nitrophenyl)methanone Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-14(19-21-17-7-2-3-8-18(17)28-19)22-9-11-23(12-10-22)20(25)15-5-4-6-16(13-15)24(26)27/h2-8,13-14H,9-12H2,1H3