N-(3-cyanothiophen-2-yl)-3-[(4-methoxyphenyl)-(phenylmethyl)amino]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[(4-methoxyphenyl)-(phenylmethyl)amino]propanamide Openeye Name: 3-(N-benzyl-4-methoxy-anilino)-N-(3-cyano-2-thienyl)propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-(4-methoxy-N-(phenylmethyl)anilino)propanamide IUPAC Name: 3-(N-benzyl-4-methoxyanilino)-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-(N-benzyl-4-methoxy-anilino)-N-(3-cyano-2-thienyl)propionamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)NC2=C(C=CS2)C#N)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)NC2=C(C=CS2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S/c1-27-20-9-7-19(8-10-20)25(16-17-5-3-2-4-6-17)13-11-21(26)24-22-18(15-23)12-14-28-22/h2-10,12,14H,11,13,16H2,1H3,(H,24,26)