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

Systemtic Name: 2-[2-(2,6-dimethylphenoxy)ethanoylamino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S/c1-18-9-8-10-19(2)25(18)32-17-23(30)29-27-24(21-13-6-7-14-22(21)33-27)26(31)28-16-15-20-11-4-3-5-12-20/h3-5,8-12H,6-7,13-17H2,1-2H3,(H,28,31)(H,29,30)