N-[[4-(cyanomethyl)phenyl]carbamothioyl]butanamide

Systemtic Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]butanamide Openeye Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]butanamide CAS Name: N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]butanamide Traditional Name: N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]butyramide Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3OS/c1-2-3-12(17)16-13(18)15-11-6-4-10(5-7-11)8-9-14/h4-7H,2-3,8H2,1H3,(H2,15,16,17,18)