3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide

Systemtic Name: 3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide Openeye Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)propanamide IUPAC Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)propionamide Formula: C22H23BrN2O3S2 MolecularWeight: 507.46362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C22H23BrN2O3S2/c1-12-4-6-14-15(8-12)22(29)30-21(16(14)11-24)25-20(26)7-5-13-9-18(27-2)19(28-3)10-17(13)23/h9-10,12H,4-8H2,1-3H3,(H,25,26)