2-[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[2-[(3-chlorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[2-[(3-chlorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]acetyl]amino]benzamide Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C21H19ClN4O3S/c1-12-16(10-18(27)25-17-8-3-2-7-15(17)19(23)28)20(29)26-21(24-12)30-11-13-5-4-6-14(22)9-13/h2-9H,10-11H2,1H3,(H2,23,28)(H,25,27)(H,24,26,29)