4-ethoxy-3-nitro-N-[(2-oxidanylidenechromen-6-yl)carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[(2-oxidanylidenechromen-6-yl)carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[(2-oxochromen-6-yl)carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[(2-oxo-1-benzopyran-6-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[(2-oxochromen-6-yl)carbamothioyl]benzamide Traditional Name: 4-ethoxy-N-[(2-ketochromen-6-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C19H15N3O6S MolecularWeight: 413.4039

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O6S/c1-2-27-16-6-3-12(10-14(16)22(25)26)18(24)21-19(29)20-13-5-7-15-11(9-13)4-8-17(23)28-15/h3-10H,2H2,1H3,(H2,20,21,24,29)