N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-nitro-benzamide Formula: C21H13BrN4O4S MolecularWeight: 497.32132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H13BrN4O4S/c22-13-5-3-4-12(10-13)20-24-16-11-14(8-9-18(16)30-20)23-21(31)25-19(27)15-6-1-2-7-17(15)26(28)29/h1-11H,(H2,23,25,27,31)