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

Systemtic Name: 2-(1-adamantylamino)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: 2-(1-adamantylamino)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: 2-(1-adamantylamino)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: 2-(1-adamantylamino)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: 2-(1-adamantylamino)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CNC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CNC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3OS/c1-13-2-3-17-18(11-23)21(27-19(17)4-13)25-20(26)12-24-22-8-14-5-15(9-22)7-16(6-14)10-22/h13-16,24H,2-10,12H2,1H3,(H,25,26)/t13-,14?,15?,16?,22?/m0/s1