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

Systemtic Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(3-iodanylphenyl)methanone Openeye Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(3-iodophenyl)methanone CAS Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-(3-iodophenyl)methanone IUPAC Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(3-iodophenyl)methanone Traditional Name: [4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-(3-iodophenyl)methanone Formula: C20H20IN3OS MolecularWeight: 477.36177

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(=O)C4=CC(=CC=C4)I

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(=O)C4=CC(=CC=C4)I

InChI

InChI=1S/C20H20IN3OS/c1-14(19-22-17-7-2-3-8-18(17)26-19)23-9-11-24(12-10-23)20(25)15-5-4-6-16(21)13-15/h2-8,13-14H,9-12H2,1H3