(phenylmethyl) 2-[4-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[2-[4-(2-thienyl)pyrimidin-2-yl]sulfanylacetyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[1-oxo-2-[(4-thiophen-2-yl-2-pyrimidinyl)thio]ethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[2-[[4-(2-thienyl)pyrimidin-2-yl]thio]acetyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C24H26N4O3S2 MolecularWeight: 482.61824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CS3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CS3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3S2/c29-22(18-33-24-25-10-9-20(26-24)21-8-4-15-32-21)28-12-5-11-27(13-14-28)16-23(30)31-17-19-6-2-1-3-7-19/h1-4,6-10,15H,5,11-14,16-18H2