N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(2,4-dimethylphenyl)methyl-methyl-amino]propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(2,4-dimethylphenyl)methyl-methyl-amino]propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(2,4-dimethylphenyl)methyl-methyl-amino]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(2,4-dimethylphenyl)methyl-methylamino]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(2,4-dimethylphenyl)methyl-methylamino]propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(2,4-dimethylbenzyl)-methyl-amino]propionamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS/c1-15-8-9-17(16(2)12-15)14-25(3)11-10-21(26)24-22-19(13-23)18-6-4-5-7-20(18)27-22/h8-9,12H,4-7,10-11,14H2,1-3H3,(H,24,26)