3-(4-butoxy-3-ethoxy-phenyl)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide

Systemtic Name: 3-(4-butoxy-3-ethoxy-phenyl)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide Openeye Name: 3-(4-butoxy-3-ethoxy-phenyl)-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide CAS Name: 3-(4-butoxy-3-ethoxyphenyl)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)propanamide IUPAC Name: 3-(4-butoxy-3-ethoxyphenyl)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide Traditional Name: 3-(4-butoxy-3-ethoxy-phenyl)-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)propionamide Formula: C26H32N2O3S2 MolecularWeight: 484.67388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C3=C(CC(CC3)C)C(=S)S2)C#N)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C3=C(CC(CC3)C)C(=S)S2)C#N)OCC

InChI

InChI=1S/C26H32N2O3S2/c1-4-6-13-31-22-11-8-18(15-23(22)30-5-2)9-12-24(29)28-25-21(16-27)19-10-7-17(3)14-20(19)26(32)33-25/h8,11,15,17H,4-7,9-10,12-14H2,1-3H3,(H,28,29)