4-(2-acetamidoethyl)-N-cyclohexyl-N-ethynyl-3,4-dihydro-2H-thiochromene-6-carboxamide

Systemtic Name: 4-(2-acetamidoethyl)-N-cyclohexyl-N-ethynyl-3,4-dihydro-2H-thiochromene-6-carboxamide Openeye Name: 4-(2-acetamidoethyl)-N-cyclohexyl-N-ethynyl-thiochromane-6-carboxamide CAS Name: 4-(2-acetamidoethyl)-N-cyclohexyl-N-ethynyl-3,4-dihydro-2H-1-benzothiopyran-6-carboxamide IUPAC Name: 4-(2-acetamidoethyl)-N-cyclohexyl-N-ethynyl-3,4-dihydro-2H-thiochromene-6-carboxamide Traditional Name: 4-(2-acetamidoethyl)-N-cyclohexyl-N-ethynyl-thiochroman-6-carboxamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1CCSC2=C1C=C(C=C2)C(=O)N(C#C)C3CCCCC3

Isomeric SMILES

CC(=O)NCCC1CCSC2=C1C=C(C=C2)C(=O)N(C#C)C3CCCCC3

InChI

InChI=1S/C22H28N2O2S/c1-3-24(19-7-5-4-6-8-19)22(26)18-9-10-21-20(15-18)17(12-14-27-21)11-13-23-16(2)25/h1,9-10,15,17,19H,4-8,11-14H2,2H3,(H,23,25)