2-(2-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

Systemtic Name: 2-(2-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Openeye Name: 2-(2-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide CAS Name: 2-[(1-oxo-2-phenylbutyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide IUPAC Name: 2-(2-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Traditional Name: 2-(2-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)N

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)N

InChI

InChI=1S/C21H26N2O2S/c1-2-15(14-10-6-5-7-11-14)20(25)23-21-18(19(22)24)16-12-8-3-4-9-13-17(16)26-21/h5-7,10-11,15H,2-4,8-9,12-13H2,1H3,(H2,22,24)(H,23,25)