N-[[4-(5-chloranylpyrimidin-2-yl)oxy-3-methyl-phenyl]-phenylsulfanyl-carbamoyl]-2-nitro-benzamide

Systemtic Name: N-[[4-(5-chloranylpyrimidin-2-yl)oxy-3-methyl-phenyl]-phenylsulfanyl-carbamoyl]-2-nitro-benzamide Openeye Name: N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methyl-phenyl]-phenylsulfanyl-carbamoyl]-2-nitro-benzamide CAS Name: N-[[4-[(5-chloro-2-pyrimidinyl)oxy]-3-methyl-N-(phenylthio)anilino]-oxomethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]-phenylsulfanylcarbamoyl]-2-nitrobenzamide Traditional Name: N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methyl-phenyl]-(phenylthio)carbamoyl]-2-nitro-benzamide Formula: C25H18ClN5O5S MolecularWeight: 535.95892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(C(=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])SC3=CC=CC=C3)OC4=NC=C(C=N4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N(C(=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])SC3=CC=CC=C3)OC4=NC=C(C=N4)Cl

InChI

InChI=1S/C25H18ClN5O5S/c1-16-13-18(11-12-22(16)36-24-27-14-17(26)15-28-24)30(37-19-7-3-2-4-8-19)25(33)29-23(32)20-9-5-6-10-21(20)31(34)35/h2-15H,1H3,(H,29,32,33)