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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,3-dimethylphenoxy)butanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2,3-dimethylphenoxy)butanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,3-dimethylphenoxy)butanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,3-dimethylphenoxy)butanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2,3-dimethylphenoxy)butyramide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S/c1-14-7-5-9-18(15(14)2)25-12-6-11-20(24)23-21-17(13-22)16-8-3-4-10-19(16)26-21/h5,7,9H,3-4,6,8,10-12H2,1-2H3,(H,23,24)