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

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-thiochromen-2-yl]-4-methoxy-benzamide Openeye Name: N-[3-(3,4-dimethoxyphenyl)-4-oxo-thiochromen-2-yl]-4-methoxy-benzamide CAS Name: N-[3-(3,4-dimethoxyphenyl)-4-oxo-1-benzothiopyran-2-yl]-4-methoxybenzamide IUPAC Name: N-[3-(3,4-dimethoxyphenyl)-4-oxothiochromen-2-yl]-4-methoxybenzamide Traditional Name: N-[3-(3,4-dimethoxyphenyl)-4-keto-thiochromen-2-yl]-4-methoxy-benzamide Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO5S/c1-29-17-11-8-15(9-12-17)24(28)26-25-22(16-10-13-19(30-2)20(14-16)31-3)23(27)18-6-4-5-7-21(18)32-25/h4-14H,1-3H3,(H,26,28)