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

Systemtic Name: N-(cyanomethyl)-2-[[4-[3-(hydroxymethyl)phenyl]thiophen-3-yl]amino]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[[4-[3-(hydroxymethyl)phenyl]-3-thienyl]amino]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[3-(hydroxymethyl)phenyl]-3-thiophenyl]amino]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[[4-[3-(hydroxymethyl)phenyl]thiophen-3-yl]amino]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-methylolphenyl)-3-thienyl]amino]valeramide Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2S/c1-13(2)8-17(19(24)21-7-6-20)22-18-12-25-11-16(18)15-5-3-4-14(9-15)10-23/h3-5,9,11-13,17,22-23H,7-8,10H2,1-2H3,(H,21,24)