1-cyclohexyl-4-(4-methylsulfanylphenyl)carbonyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-(4-methylsulfanylphenyl)carbonyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-(4-methylsulfanylbenzoyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[[4-(methylthio)phenyl]-oxomethyl]-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-(4-methylsulfanylbenzoyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-[4-(methylthio)benzoyl]-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=N4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=N4

InChI

InChI=1S/C25H31N3O3S/c1-32-23-12-10-19(11-13-23)25(30)27-15-22(31-18-20-7-5-6-14-26-20)16-28(24(29)17-27)21-8-3-2-4-9-21/h5-7,10-14,21-22H,2-4,8-9,15-18H2,1H3