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

Systemtic Name: N-phenethyl-2-(2-phenoxyethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-phenethyl-2-[(2-phenoxyacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(1-oxo-2-phenoxyethyl)amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-phenethyl-2-[(2-phenoxyacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-phenethyl-2-[(2-phenoxyacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3S/c28-22(17-30-19-11-5-2-6-12-19)27-25-23(20-13-7-8-14-21(20)31-25)24(29)26-16-15-18-9-3-1-4-10-18/h1-6,9-12H,7-8,13-17H2,(H,26,29)(H,27,28)