4-(4-chloranyl-2-methyl-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Openeye Name: 4-(4-chloro-2-methyl-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)butanamide CAS Name: 4-(4-chloro-2-methylphenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide IUPAC Name: 4-(4-chloro-2-methylphenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Traditional Name: 4-(4-chloro-2-methyl-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)butyramide Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O2S/c1-13-5-7-16-17(12-23)21(27-19(16)10-13)24-20(25)4-3-9-26-18-8-6-15(22)11-14(18)2/h6,8,11,13H,3-5,7,9-10H2,1-2H3,(H,24,25)