1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(5-ethylfuran-2-yl)but-2-en-1-one

Systemtic Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(5-ethylfuran-2-yl)but-2-en-1-one Openeye Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(5-ethyl-2-furyl)but-2-en-1-one CAS Name: 1-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-3-(5-ethyl-2-furanyl)-2-buten-1-one IUPAC Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(5-ethylfuran-2-yl)but-2-en-1-one Traditional Name: 1-[4-(1,2-benzothiazol-3-yl)piperazino]-3-(5-ethyl-2-furyl)but-2-en-1-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C(=CC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43)C

Isomeric SMILES

CCC1=CC=C(O1)C(=CC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43)C

InChI

InChI=1S/C21H23N3O2S/c1-3-16-8-9-18(26-16)15(2)14-20(25)23-10-12-24(13-11-23)21-17-6-4-5-7-19(17)27-22-21/h4-9,14H,3,10-13H2,1-2H3