1-[(4-methoxyphenyl)methyl]-4-(2-methylsulfanylpyridin-3-yl)carbonyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-(2-methylsulfanylpyridin-3-yl)carbonyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-(2-methylsulfanylpyridine-3-carbonyl)-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(4-methoxyphenyl)methyl]-4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-(2-methylsulfanylpyridine-3-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[2-(methylthio)nicotinoyl]-1-p-anisyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)C3=C(N=CC=C3)SC)OCC4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)C3=C(N=CC=C3)SC)OCC4=CC=NC=C4

InChI

InChI=1S/C26H28N4O4S/c1-33-21-7-5-19(6-8-21)14-29-15-22(34-18-20-9-12-27-13-10-20)16-30(17-24(29)31)26(32)23-4-3-11-28-25(23)35-2/h3-13,22H,14-18H2,1-2H3