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

Systemtic Name: N-phenethyl-2-[4-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenethyl-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-phenethylacetamide IUPAC Name: N-phenethyl-2-[4-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenethyl-2-[4-[2-[[4-(2-thienyl)pyrimidin-2-yl]thio]acetyl]-1,4-diazepan-1-yl]acetamide Formula: C25H29N5O2S2 MolecularWeight: 495.66006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CS3)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CS3)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2S2/c31-23(26-11-9-20-6-2-1-3-7-20)18-29-13-5-14-30(16-15-29)24(32)19-34-25-27-12-10-21(28-25)22-8-4-17-33-22/h1-4,6-8,10,12,17H,5,9,11,13-16,18-19H2,(H,26,31)