N-[[4-(5-bromanylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]-2-nitro-benzamide

Systemtic Name: N-[[4-(5-bromanylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]-2-nitro-benzamide Openeye Name: N-[[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]carbamoyl]-2-nitro-benzamide CAS Name: N-[[4-[(5-bromo-2-pyrimidinyl)thio]anilino]-oxomethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]carbamoyl]-2-nitrobenzamide Traditional Name: N-[[4-[(5-bromopyrimidin-2-yl)thio]phenyl]carbamoyl]-2-nitro-benzamide Formula: C18H12BrN5O4S MolecularWeight: 474.28798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)SC3=NC=C(C=N3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)SC3=NC=C(C=N3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H12BrN5O4S/c19-11-9-20-18(21-10-11)29-13-7-5-12(6-8-13)22-17(26)23-16(25)14-3-1-2-4-15(14)24(27)28/h1-10H,(H2,22,23,25,26)