N-(5-chloranyl-2-cyano-phenyl)-2-[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]acetamide Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C22H20ClN3OS/c1-2-15-5-7-16(8-6-15)22(20-4-3-11-28-20)25-14-21(27)26-19-12-18(23)10-9-17(19)13-24/h3-12,22,25H,2,14H2,1H3,(H,26,27)/t22-/m1/s1