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

Systemtic Name: 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]benzamide Openeye Name: 4-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]benzamide CAS Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)prop-1-ynyl]benzamide IUPAC Name: 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]benzamide Traditional Name: 4-[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=C(C=C3)C(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21NOS/c1-21(2)13-14-24-19-16(7-4-8-18(19)21)6-3-5-15-9-11-17(12-10-15)20(22)23/h4,7-12H,6,13-14H2,1-2H3,(H2,22,23)