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

Systemtic Name: 3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)-N-ethyl-2-prop-1-ynyl-benzamide Openeye Name: 3-(4,4-dimethylthiochroman-8-yl)-N-ethyl-2-prop-1-ynyl-benzamide CAS Name: 3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)-N-ethyl-2-prop-1-ynylbenzamide IUPAC Name: 3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)-N-ethyl-2-prop-1-ynylbenzamide Traditional Name: 3-(4,4-dimethylthiochroman-8-yl)-N-ethyl-2-prop-1-ynyl-benzamide Formula: C23H25NOS MolecularWeight: 363.5157

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=CC(=C1C#CC)C2=C3C(=CC=C2)C(CCS3)(C)C

Isomeric SMILES

CCNC(=O)C1=CC=CC(=C1C#CC)C2=C3C(=CC=C2)C(CCS3)(C)C

InChI

InChI=1S/C23H25NOS/c1-5-9-16-17(10-7-12-19(16)22(25)24-6-2)18-11-8-13-20-21(18)26-15-14-23(20,3)4/h7-8,10-13H,6,14-15H2,1-4H3,(H,24,25)