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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)O)C3=C4C(=CC=C3)C(CCS4)(C)C

Isomeric SMILES

CC#CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)O)C3=C4C(=CC=C3)C(CCS4)(C)C

InChI

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