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

Systemtic Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(5-methylfuran-2-yl)but-2-en-1-one Openeye Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(5-methyl-2-furyl)but-2-en-1-one CAS Name: 1-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-3-(5-methyl-2-furanyl)-2-buten-1-one IUPAC Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(5-methylfuran-2-yl)but-2-en-1-one Traditional Name: 1-[4-(1,2-benzothiazol-3-yl)piperazino]-3-(5-methyl-2-furyl)but-2-en-1-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=CC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(O1)C(=CC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43)C

InChI

InChI=1S/C20H21N3O2S/c1-14(17-8-7-15(2)25-17)13-19(24)22-9-11-23(12-10-22)20-16-5-3-4-6-18(16)26-21-20/h3-8,13H,9-12H2,1-2H3