4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]-N-(4-hydroxyphenyl)benzamide

Systemtic Name: 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]-N-(4-hydroxyphenyl)benzamide Openeye Name: 4-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]-N-(4-hydroxyphenyl)benzamide CAS Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)prop-1-ynyl]-N-(4-hydroxyphenyl)benzamide IUPAC Name: 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]-N-(4-hydroxyphenyl)benzamide Traditional Name: 4-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]-N-(4-hydroxyphenyl)benzamide Formula: C27H25NO2S MolecularWeight: 427.5579

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=CC=C2CC#CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)O)C

Isomeric SMILES

CC1(CCSC2=C1C=CC=C2CC#CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)O)C

InChI

InChI=1S/C27H25NO2S/c1-27(2)17-18-31-25-20(7-4-8-24(25)27)6-3-5-19-9-11-21(12-10-19)26(30)28-22-13-15-23(29)16-14-22/h4,7-16,29H,6,17-18H2,1-2H3,(H,28,30)