5-[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxamide

Systemtic Name: 5-[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxamide Openeye Name: 4-cyano-5-[4-(2,4-dichlorophenoxy)butanoylamino]-3-methyl-thiophene-2-carboxamide CAS Name: 4-cyano-5-[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxamide IUPAC Name: 4-cyano-5-[4-(2,4-dichlorophenoxy)butanoylamino]-3-methylthiophene-2-carboxamide Traditional Name: 4-cyano-5-[4-(2,4-dichlorophenoxy)butanoylamino]-3-methyl-thiophene-2-carboxamide Formula: C17H15Cl2N3O3S MolecularWeight: 412.2903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)C(=O)N

InChI

InChI=1S/C17H15Cl2N3O3S/c1-9-11(8-20)17(26-15(9)16(21)24)22-14(23)3-2-6-25-13-5-4-10(18)7-12(13)19/h4-5,7H,2-3,6H2,1H3,(H2,21,24)(H,22,23)