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

Systemtic Name: N-(cyanomethyl)-2-[[4-(4-ethanoylphenyl)thiophen-3-yl]amino]-4-methyl-pentanamide Openeye Name: 2-[[4-(4-acetylphenyl)-3-thienyl]amino]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[4-(4-acetylphenyl)-3-thiophenyl]amino]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[[4-(4-acetylphenyl)thiophen-3-yl]amino]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[4-(4-acetylphenyl)-3-thienyl]amino]-N-(cyanomethyl)-4-methyl-valeramide Formula: C20H23N3O2S MolecularWeight: 369.48052

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-13(2)10-18(20(25)22-9-8-21)23-19-12-26-11-17(19)16-6-4-15(5-7-16)14(3)24/h4-7,11-13,18,23H,9-10H2,1-3H3,(H,22,25)