1-[4-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[3-(cyclohexylsulfanylmethyl)benzofuran-2-carbonyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[[3-[(cyclohexylthio)methyl]-2-benzofuranyl]-oxomethyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[3-[(cyclohexylthio)methyl]benzofuran-2-carbonyl]-1,4-diazepan-1-yl]ethanone Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

InChI

InChI=1S/C23H30N2O3S/c1-17(26)24-12-7-13-25(15-14-24)23(27)22-20(16-29-18-8-3-2-4-9-18)19-10-5-6-11-21(19)28-22/h5-6,10-11,18H,2-4,7-9,12-16H2,1H3