N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-methyl-pentanamide

Systemtic Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-methyl-pentanamide Openeye Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-methyl-pentanamide CAS Name: N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]-4-methylpentanamide IUPAC Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-methylpentanamide Traditional Name: N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]-4-methyl-valeramide Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC(=S)NC1=CC=C(C=C1)CC#N

Isomeric SMILES

CC(C)CCC(=O)NC(=S)NC1=CC=C(C=C1)CC#N

InChI

InChI=1S/C15H19N3OS/c1-11(2)3-8-14(19)18-15(20)17-13-6-4-12(5-7-13)9-10-16/h4-7,11H,3,8-9H2,1-2H3,(H2,17,18,19,20)