N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C26H18N4O5S MolecularWeight: 498.50992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C26H18N4O5S/c1-34-21-11-10-16(14-20(21)30(32)33)24(31)29-26(36)27-18-7-4-6-17(13-18)25-28-23-19-8-3-2-5-15(19)9-12-22(23)35-25/h2-14H,1H3,(H2,27,29,31,36)