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

Systemtic Name: 2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-(4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C21H25ClN2O3S/c1-12-10-14(11-13(2)19(12)22)27-9-5-8-17(25)24-21-18(20(23)26)15-6-3-4-7-16(15)28-21/h10-11H,3-9H2,1-2H3,(H2,23,26)(H,24,25)