N-(3-cyanothiophen-2-yl)-3-[[(S)-(4-methylphenyl)-phenyl-methyl]amino]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[[(S)-(4-methylphenyl)-phenyl-methyl]amino]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[[(S)-phenyl(p-tolyl)methyl]amino]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[[(S)-phenyl(p-tolyl)methyl]amino]propionamide Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NCCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NCCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C22H21N3OS/c1-16-7-9-18(10-8-16)21(17-5-3-2-4-6-17)24-13-11-20(26)25-22-19(15-23)12-14-27-22/h2-10,12,14,21,24H,11,13H2,1H3,(H,25,26)/t21-/m0/s1