N-phenyl-2-[4-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-phenyl-2-[4-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-[2-[4-(2-thienyl)pyrimidin-2-yl]sulfanylacetyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[1-oxo-2-[(4-thiophen-2-yl-2-pyrimidinyl)thio]ethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: N-phenyl-2-[4-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[2-[[4-(2-thienyl)pyrimidin-2-yl]thio]acetyl]-1,4-diazepan-1-yl]acetamide Formula: C23H25N5O2S2 MolecularWeight: 467.6069

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CS3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CS3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2S2/c29-21(25-18-6-2-1-3-7-18)16-27-11-5-12-28(14-13-27)22(30)17-32-23-24-10-9-19(26-23)20-8-4-15-31-20/h1-4,6-10,15H,5,11-14,16-17H2,(H,25,29)