2-[[4-(4-tert-butylphenyl)thiophen-3-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[[4-(4-tert-butylphenyl)thiophen-3-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[[4-(4-tert-butylphenyl)-3-thienyl]amino]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[4-(4-tert-butylphenyl)-3-thiophenyl]amino]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[[4-(4-tert-butylphenyl)thiophen-3-yl]amino]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[4-(4-tert-butylphenyl)-3-thienyl]amino]-N-(cyanomethyl)-4-methyl-valeramide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H29N3OS/c1-15(2)12-19(21(26)24-11-10-23)25-20-14-27-13-18(20)16-6-8-17(9-7-16)22(3,4)5/h6-9,13-15,19,25H,11-12H2,1-5H3,(H,24,26)