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

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-thiochromen-2-yl]-2-methyl-benzamide Openeye Name: N-[3-(3,4-dimethoxyphenyl)-4-oxo-thiochromen-2-yl]-2-methyl-benzamide CAS Name: N-[3-(3,4-dimethoxyphenyl)-4-oxo-1-benzothiopyran-2-yl]-2-methylbenzamide IUPAC Name: N-[3-(3,4-dimethoxyphenyl)-4-oxothiochromen-2-yl]-2-methylbenzamide Traditional Name: N-[3-(3,4-dimethoxyphenyl)-4-keto-thiochromen-2-yl]-2-methyl-benzamide Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C(=O)C3=CC=CC=C3S2)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C(=O)C3=CC=CC=C3S2)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H21NO4S/c1-15-8-4-5-9-17(15)24(28)26-25-22(16-12-13-19(29-2)20(14-16)30-3)23(27)18-10-6-7-11-21(18)31-25/h4-14H,1-3H3,(H,26,28)