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

Systemtic Name: 4-methoxy-3-nitro-N-[(2-oxidanylidenechromen-6-yl)carbamothioyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[(2-oxochromen-6-yl)carbamothioyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[(2-oxo-1-benzopyran-6-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[(2-oxochromen-6-yl)carbamothioyl]benzamide Traditional Name: N-[(2-ketochromen-6-yl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C18H13N3O6S MolecularWeight: 399.37732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O6S/c1-26-15-5-2-11(9-13(15)21(24)25)17(23)20-18(28)19-12-4-6-14-10(8-12)3-7-16(22)27-14/h2-9H,1H3,(H2,19,20,23,28)