N-butyl-2-(2-phenoxyethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-butyl-2-(2-phenoxyethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-butyl-2-[(2-phenoxyacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-butyl-2-[(1-oxo-2-phenoxyethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-butyl-2-[(2-phenoxyacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-butyl-2-[(2-phenoxyacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-2-3-13-22-20(25)19-16-11-7-8-12-17(16)27-21(19)23-18(24)14-26-15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-14H2,1H3,(H,22,25)(H,23,24)