N-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-thiochromen-2-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-thiochromen-2-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-thiochromen-2-yl]-3,4-dimethoxy-benzamide CAS Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-1-benzothiopyran-2-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxothiochromen-2-yl]-3,4-dimethoxybenzamide Traditional Name: N-[3-(1,3-benzodioxol-5-yl)-4-keto-thiochromen-2-yl]-3,4-dimethoxy-benzamide Formula: C25H19NO6S MolecularWeight: 461.48646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3S2)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3S2)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C25H19NO6S/c1-29-17-9-8-15(12-19(17)30-2)24(28)26-25-22(14-7-10-18-20(11-14)32-13-31-18)23(27)16-5-3-4-6-21(16)33-25/h3-12H,13H2,1-2H3,(H,26,28)