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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=CC=C1C(=O)NC2=CC=C(C=C2)O)C3=C4C(=CC=C3)C(CCS4)(C)C

Isomeric SMILES

CC#CC1=C(C=CC=C1C(=O)NC2=CC=C(C=C2)O)C3=C4C(=CC=C3)C(CCS4)(C)C

InChI

InChI=1S/C27H25NO2S/c1-4-7-20-21(22-9-6-11-24-25(22)31-17-16-27(24,2)3)8-5-10-23(20)26(30)28-18-12-14-19(29)15-13-18/h5-6,8-15,29H,16-17H2,1-3H3,(H,28,30)