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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3-methoxyphenyl)methyl-methyl-amino]propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(3-methoxyphenyl)methyl-methyl-amino]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3-methoxyphenyl)methyl-methylamino]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3-methoxyphenyl)methyl-methylamino]propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[m-anisyl(methyl)amino]propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC3=CC(=CC=C3)OC

Isomeric SMILES

CN(CCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H25N3O2S/c1-24(14-15-6-5-7-16(12-15)26-2)11-10-20(25)23-21-18(13-22)17-8-3-4-9-19(17)27-21/h5-7,12H,3-4,8-11,14H2,1-2H3,(H,23,25)