2-[2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[2-[(3-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[2-[(3-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetyl]amino]benzamide Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H17ClN4O3S/c21-13-5-3-4-12(8-13)11-29-20-23-14(10-18(27)25-20)9-17(26)24-16-7-2-1-6-15(16)19(22)28/h1-8,10H,9,11H2,(H2,22,28)(H,24,26)(H,23,25,27)