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

Systemtic Name: N-[4-[3-(3,4-dimethoxyphenyl)propyl]phenyl]-4-oxidanylidene-2,3-dihydrothiochromene-3-carboxamide Openeye Name: N-[4-[3-(3,4-dimethoxyphenyl)propyl]phenyl]-4-oxo-thiochromane-3-carboxamide CAS Name: N-[4-[3-(3,4-dimethoxyphenyl)propyl]phenyl]-4-oxo-2,3-dihydro-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-[3-(3,4-dimethoxyphenyl)propyl]phenyl]-4-oxo-2,3-dihydrothiochromene-3-carboxamide Traditional Name: N-[4-[3-(3,4-dimethoxyphenyl)propyl]phenyl]-4-keto-thiochroman-3-carboxamide Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCC2=CC=C(C=C2)NC(=O)C3CSC4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCC2=CC=C(C=C2)NC(=O)C3CSC4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C27H27NO4S/c1-31-23-15-12-19(16-24(23)32-2)7-5-6-18-10-13-20(14-11-18)28-27(30)22-17-33-25-9-4-3-8-21(25)26(22)29/h3-4,8-16,22H,5-7,17H2,1-2H3,(H,28,30)