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

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

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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(=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(SC3=CC=CC=C3C2=O)NC(=O)C4=CC(=CC=C4)OC)OC

InChI

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