N-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-thiochromen-2-yl]-4-nitro-benzamide

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-thiochromen-2-yl]-4-nitro-benzamide Openeye Name: N-[3-(3,4-dimethoxyphenyl)-4-oxo-thiochromen-2-yl]-4-nitro-benzamide CAS Name: N-[3-(3,4-dimethoxyphenyl)-4-oxo-1-benzothiopyran-2-yl]-4-nitrobenzamide IUPAC Name: N-[3-(3,4-dimethoxyphenyl)-4-oxothiochromen-2-yl]-4-nitrobenzamide Traditional Name: N-[3-(3,4-dimethoxyphenyl)-4-keto-thiochromen-2-yl]-4-nitro-benzamide Formula: C24H18N2O6S MolecularWeight: 462.47452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(SC3=CC=CC=C3C2=O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(SC3=CC=CC=C3C2=O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C24H18N2O6S/c1-31-18-12-9-15(13-19(18)32-2)21-22(27)17-5-3-4-6-20(17)33-24(21)25-23(28)14-7-10-16(11-8-14)26(29)30/h3-13H,1-2H3,(H,25,28)