N-[2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-4-yl]-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-4-yl]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(3-benzyl-2,6-dioxo-pyrimidin-4-yl)-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[2,6-dioxo-3-(phenylmethyl)-4-pyrimidinyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(3-benzyl-2,6-diketo-pyrimidin-4-yl)-2-(2-quinolylthio)acetamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H18N4O3S/c27-19-12-18(26(22(29)25-19)13-15-6-2-1-3-7-15)24-20(28)14-30-21-11-10-16-8-4-5-9-17(16)23-21/h1-12H,13-14H2,(H,24,28)(H,25,27,29)