1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[4-(oxolan-2-ylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[4-(oxolan-2-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[4-(tetrahydrofuran-2-ylmethyl)phenyl]prop-2-en-1-one CAS Name: 1-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-3-[4-(2-oxolanylmethyl)phenyl]-2-propen-1-one IUPAC Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[4-(oxolan-2-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: 1-[4-(1,2-benzothiazol-3-yl)piperazino]-3-[4-(tetrahydrofurfuryl)phenyl]prop-2-en-1-one Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CC2=CC=C(C=C2)C=CC(=O)N3CCN(CC3)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CC(OC1)CC2=CC=C(C=C2)C=CC(=O)N3CCN(CC3)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C25H27N3O2S/c29-24(12-11-19-7-9-20(10-8-19)18-21-4-3-17-30-21)27-13-15-28(16-14-27)25-22-5-1-2-6-23(22)31-26-25/h1-2,5-12,21H,3-4,13-18H2