1-[4-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[3-(cyclohexylsulfanylmethyl)benzofuran-2-carbonyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[[3-[(cyclohexylthio)methyl]-2-benzofuranyl]-oxomethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[3-[(cyclohexylthio)methyl]benzofuran-2-carbonyl]piperazino]-2-methyl-propan-1-one Formula: C24H32N2O3S MolecularWeight: 428.58748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

InChI

InChI=1S/C24H32N2O3S/c1-17(2)23(27)25-12-14-26(15-13-25)24(28)22-20(16-30-18-8-4-3-5-9-18)19-10-6-7-11-21(19)29-22/h6-7,10-11,17-18H,3-5,8-9,12-16H2,1-2H3