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

Systemtic Name: 2-(2-phenoxybutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Openeye Name: 2-(2-phenoxybutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide CAS Name: 2-[(1-oxo-2-phenoxybutyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide IUPAC Name: 2-(2-phenoxybutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Traditional Name: 2-(2-phenoxybutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCCCC2)C(=O)N)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCCCC2)C(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-2-16(26-14-10-6-5-7-11-14)20(25)23-21-18(19(22)24)15-12-8-3-4-9-13-17(15)27-21/h5-7,10-11,16H,2-4,8-9,12-13H2,1H3,(H2,22,24)(H,23,25)