4-(naphthalen-2-ylmethyl)-1-(2-pyridin-4-ylsulfanylethanoyl)-1,4-diazepan-5-one

Systemtic Name: 4-(naphthalen-2-ylmethyl)-1-(2-pyridin-4-ylsulfanylethanoyl)-1,4-diazepan-5-one Openeye Name: 4-(2-naphthylmethyl)-1-[2-(4-pyridylsulfanyl)acetyl]-1,4-diazepan-5-one CAS Name: 4-(2-naphthalenylmethyl)-1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-1,4-diazepan-5-one IUPAC Name: 4-(naphthalen-2-ylmethyl)-1-(2-pyridin-4-ylsulfanylacetyl)-1,4-diazepan-5-one Traditional Name: 4-(2-naphthylmethyl)-1-[2-(4-pyridylthio)acetyl]-1,4-diazepan-5-one Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC3=CC=CC=C3C=C2)C(=O)CSC4=CC=NC=C4

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC3=CC=CC=C3C=C2)C(=O)CSC4=CC=NC=C4

InChI

InChI=1S/C23H23N3O2S/c27-22-9-12-25(23(28)17-29-21-7-10-24-11-8-21)13-14-26(22)16-18-5-6-19-3-1-2-4-20(19)15-18/h1-8,10-11,15H,9,12-14,16-17H2