2-[(4-ethoxyphenyl)carbonylamino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(4-ethoxyphenyl)carbonylamino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-ethoxybenzoyl)amino]-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-ethoxybenzoyl)amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-ethoxybenzoyl)amino]-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3S/c1-2-31-20-14-12-19(13-15-20)24(29)28-26-23(21-10-6-7-11-22(21)32-26)25(30)27-17-16-18-8-4-3-5-9-18/h3-5,8-9,12-15H,2,6-7,10-11,16-17H2,1H3,(H,27,30)(H,28,29)