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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4-ethoxyphenyl)methyl-methyl-amino]propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(4-ethoxyphenyl)methyl-methyl-amino]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4-ethoxyphenyl)methyl-methylamino]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4-ethoxyphenyl)methyl-methylamino]propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(4-ethoxybenzyl)-methyl-amino]propionamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C22H27N3O2S/c1-3-27-17-10-8-16(9-11-17)15-25(2)13-12-21(26)24-22-19(14-23)18-6-4-5-7-20(18)28-22/h8-11H,3-7,12-13,15H2,1-2H3,(H,24,26)