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

Systemtic Name: 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-(2,3-dimethylphenoxy)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C

InChI

InChI=1S/C21H26N2O3S/c1-13-7-5-9-16(14(13)2)26-12-6-11-18(24)23-21-19(20(22)25)15-8-3-4-10-17(15)27-21/h5,7,9H,3-4,6,8,10-12H2,1-2H3,(H2,22,25)(H,23,24)