4-[2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetyl]amino]benzamide CAS Name: 4-[[1-oxo-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]ethyl]amino]benzamide IUPAC Name: 4-[[2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetyl]amino]benzamide Traditional Name: 4-[[2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]acetyl]amino]benzamide Formula: C20H18N4O3S MolecularWeight: 394.44692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C20H18N4O3S/c21-19(27)14-6-8-15(9-7-14)22-17(25)10-16-11-18(26)24-20(23-16)28-12-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H2,21,27)(H,22,25)(H,23,24,26)