6-[(3-methoxyphenyl)methoxy]-4-(2-phenylsulfanylethanoyl)-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 6-[(3-methoxyphenyl)methoxy]-4-(2-phenylsulfanylethanoyl)-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-[(3-methoxyphenyl)methoxy]-4-(2-phenylsulfanylacetyl)-1-(2-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 6-[(3-methoxyphenyl)methoxy]-4-[1-oxo-2-(phenylthio)ethyl]-1-(2-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 6-[(3-methoxyphenyl)methoxy]-4-(2-phenylsulfanylacetyl)-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-m-anisyloxy-4-[2-(phenylthio)acetyl]-1-(2-pyridylmethyl)-1,4-diazepan-2-one Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CC3=CC=CC=N3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CC3=CC=CC=N3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S/c1-33-23-10-7-8-21(14-23)19-34-24-16-29(15-22-9-5-6-13-28-22)26(31)18-30(17-24)27(32)20-35-25-11-3-2-4-12-25/h2-14,24H,15-20H2,1H3