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

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[4-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C22H16N4O5S MolecularWeight: 448.45124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O5S/c1-30-19-11-8-14(12-17(19)26(28)29)20(27)25-22(32)23-15-9-6-13(7-10-15)21-24-16-4-2-3-5-18(16)31-21/h2-12H,1H3,(H2,23,25,27,32)