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

Systemtic Name: 2-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]benzamide Openeye Name: 2-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]benzamide CAS Name: 2-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)prop-1-ynyl]benzamide IUPAC Name: 2-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]benzamide Traditional Name: 2-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]benzamide Formula: C21H21NOS MolecularWeight: 335.46254

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=CC=C2CC#CC3=CC=CC=C3C(=O)N)C

Isomeric SMILES

CC1(CCSC2=C1C=CC=C2CC#CC3=CC=CC=C3C(=O)N)C

InChI

InChI=1S/C21H21NOS/c1-21(2)13-14-24-19-16(10-6-12-18(19)21)9-5-8-15-7-3-4-11-17(15)20(22)23/h3-4,6-7,10-12H,9,13-14H2,1-2H3,(H2,22,23)