[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(5-nitrobenzothiophen-2-yl)methanone CAS Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-(5-nitrobenzothiophen-2-yl)methanone Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O3S2/c1-14(21-23-17-4-2-3-5-19(17)31-21)24-8-10-25(11-9-24)22(27)20-13-15-12-16(26(28)29)6-7-18(15)30-20/h2-7,12-14H,8-11H2,1H3