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

Systemtic Name: 2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-(4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCOC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCOC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C22H27ClN2O3S/c1-12-6-7-16-17(9-12)29-22(19(16)21(24)27)25-18(26)5-4-8-28-15-10-13(2)20(23)14(3)11-15/h10-12H,4-9H2,1-3H3,(H2,24,27)(H,25,26)