(6S)-2-(1-adamantylcarbonylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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