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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4I

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4I

InChI

InChI=1S/C20H20IN3OS/c1-2-14-6-5-9-17-18(14)22-20(26-17)24-12-10-23(11-13-24)19(25)15-7-3-4-8-16(15)21/h3-9H,2,10-13H2,1H3