[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3,5-dimethyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3,5-dimethyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3,5-dimethylbenzofuran-2-yl)methanone CAS Name: [4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-(3,5-dimethyl-2-benzofuranyl)methanone IUPAC Name: [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(3,5-dimethyl-1-benzofuran-2-yl)methanone Traditional Name: [4-(1,2-benzothiazol-3-yl)piperazino]-(3,5-dimethylbenzofuran-2-yl)methanone Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCN(CC3)C4=NSC5=CC=CC=C54

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCN(CC3)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C22H21N3O2S/c1-14-7-8-18-17(13-14)15(2)20(27-18)22(26)25-11-9-24(10-12-25)21-16-5-3-4-6-19(16)28-23-21/h3-8,13H,9-12H2,1-2H3