3-(1-adamantylamino)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Systemtic Name: 3-(1-adamantylamino)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-(1-adamantylamino)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-(1-adamantylamino)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(1-adamantylamino)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-(1-adamantylamino)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCNC34CC5CC(C3)CC(C5)C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCNC34CC5CC(C3)CC(C5)C4)C#N

InChI

InChI=1S/C22H29N3OS/c23-13-18-17-3-1-2-4-19(17)27-21(18)25-20(26)5-6-24-22-10-14-7-15(11-22)9-16(8-14)12-22/h14-16,24H,1-12H2,(H,25,26)