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

Systemtic Name: (5S)-2-(1-adamantylcarbonylamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (5S)-2-(adamantane-1-carbonylamino)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (5S)-2-[[1-adamantyl(oxo)methyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (5S)-2-(adamantane-1-carbonylamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (5S)-2-(adamantane-1-carbonylamino)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)N

InChI

InChI=1S/C21H28N2O2S/c1-11-2-3-16-15(4-11)17(18(22)24)19(26-16)23-20(25)21-8-12-5-13(9-21)7-14(6-12)10-21/h11-14H,2-10H2,1H3,(H2,22,24)(H,23,25)/t11-,12?,13?,14?,21?/m0/s1