4-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)sulfanylcarbamoyl]benzamide

Systemtic Name: 4-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)sulfanylcarbamoyl]benzamide Openeye Name: 4-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)sulfanylcarbamoyl]benzamide CAS Name: 4-nitro-N-[oxo-[[(2-phenyl-1,3-benzoxazol-5-yl)thio]amino]methyl]benzamide IUPAC Name: 4-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)sulfanylcarbamoyl]benzamide Traditional Name: 4-nitro-N-[[(2-phenyl-1,3-benzoxazol-5-yl)thio]carbamoyl]benzamide Formula: C21H14N4O5S MolecularWeight: 434.42466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)SNC(=O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)SNC(=O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O5S/c26-19(13-6-8-15(9-7-13)25(28)29)23-21(27)24-31-16-10-11-18-17(12-16)22-20(30-18)14-4-2-1-3-5-14/h1-12H,(H2,23,24,26,27)