1-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butan-1-one

Systemtic Name: 1-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butan-1-one Openeye Name: 1-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butan-1-one CAS Name: 1-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-butanone IUPAC Name: 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutan-1-one Traditional Name: 1-[4-(benzofuran-2-carbonyl)piperazino]-2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butan-1-one Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H29N3O3S/c1-3-27(4-2,18-24-28-20-10-6-8-12-23(20)34-24)26(32)30-15-13-29(14-16-30)25(31)22-17-19-9-5-7-11-21(19)33-22/h5-12,17H,3-4,13-16,18H2,1-2H3