(6S)-2-[2-(1-adamantyl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-[2-(1-adamantyl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-[[2-(1-adamantyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[2-(1-adamantyl)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-[[2-(1-adamantyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-[[2-(1-adamantyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N2O2S/c1-12-2-3-16-17(4-12)27-21(19(16)20(23)26)24-18(25)11-22-8-13-5-14(9-22)7-15(6-13)10-22/h12-15H,2-11H2,1H3,(H2,23,26)(H,24,25)/t12-,13?,14?,15?,22?/m0/s1