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

Systemtic Name: N-(3-cyano-7-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethyl-butanamide Openeye Name: N-(3-cyano-7-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-ethyl-butanamide CAS Name: N-(3-cyano-7-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylbutanamide IUPAC Name: N-(3-cyano-7-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-ethylbutanamide Traditional Name: N-(3-cyano-7-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-ethyl-butyramide Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C2=C(S1)C(CCC2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C2=C(S1)C(CCC2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H24N2OS/c1-3-14(4-2)20(24)23-21-18(13-22)17-12-8-11-16(19(17)25-21)15-9-6-5-7-10-15/h5-7,9-10,14,16H,3-4,8,11-12H2,1-2H3,(H,23,24)