N-[4-[4-(3,4-dimethoxyphenyl)butyl]phenyl]-4-oxidanylidene-2,3-dihydrothiochromene-3-carboxamide

Systemtic Name: N-[4-[4-(3,4-dimethoxyphenyl)butyl]phenyl]-4-oxidanylidene-2,3-dihydrothiochromene-3-carboxamide Openeye Name: N-[4-[4-(3,4-dimethoxyphenyl)butyl]phenyl]-4-oxo-thiochromane-3-carboxamide CAS Name: N-[4-[4-(3,4-dimethoxyphenyl)butyl]phenyl]-4-oxo-2,3-dihydro-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-[4-(3,4-dimethoxyphenyl)butyl]phenyl]-4-oxo-2,3-dihydrothiochromene-3-carboxamide Traditional Name: N-[4-[4-(3,4-dimethoxyphenyl)butyl]phenyl]-4-keto-thiochroman-3-carboxamide Formula: C28H29NO4S MolecularWeight: 475.59916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCCC2=CC=C(C=C2)NC(=O)C3CSC4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCCC2=CC=C(C=C2)NC(=O)C3CSC4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C28H29NO4S/c1-32-24-16-13-20(17-25(24)33-2)8-4-3-7-19-11-14-21(15-12-19)29-28(31)23-18-34-26-10-6-5-9-22(26)27(23)30/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3,(H,29,31)