N-(3-propanoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)adamantane-1-carboxamide

Systemtic Name: N-(3-propanoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)adamantane-1-carboxamide Openeye Name: N-(3-propanoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)adamantane-1-carboxamide CAS Name: N-[3-(1-oxopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-adamantanecarboxamide IUPAC Name: N-(3-propanoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)adamantane-1-carboxamide Traditional Name: N-(3-propionyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)adamantane-1-carboxamide Formula: C22H29NO2S MolecularWeight: 371.53616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(SC2=C1CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC(=O)C1=C(SC2=C1CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29NO2S/c1-2-17(24)19-16-5-3-4-6-18(16)26-20(19)23-21(25)22-10-13-7-14(11-22)9-15(8-13)12-22/h13-15H,2-12H2,1H3,(H,23,25)