2-[3-(2-methoxyphenyl)propanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-(2-methoxyphenyl)propanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[3-(2-methoxyphenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(2-methoxyphenyl)-1-oxopropyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[3-(2-methoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[3-(2-methoxyphenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3S/c1-31-21-13-7-5-11-19(21)15-16-23(29)28-26-24(20-12-6-8-14-22(20)32-26)25(30)27-17-18-9-3-2-4-10-18/h2-5,7,9-11,13H,6,8,12,14-17H2,1H3,(H,27,30)(H,28,29)