N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]adamantane-1-carboxamide Openeye Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]adamantane-1-carboxamide CAS Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]adamantane-1-carboxamide Traditional Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]adamantane-1-carboxamide Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2OS/c1-12-2-3-18-16(4-12)17(11-22)19(25-18)23-20(24)21-8-13-5-14(9-21)7-15(6-13)10-21/h12-15H,2-10H2,1H3,(H,23,24)/t12-,13?,14?,15?,21?/m0/s1