N-(5-isothiocyanato-2-oxidanyl-phenyl)butanamide

Systemtic Name: N-(5-isothiocyanato-2-oxidanyl-phenyl)butanamide Openeye Name: N-(2-hydroxy-5-isothiocyanato-phenyl)butanamide CAS Name: N-(2-hydroxy-5-isothiocyanatophenyl)butanamide IUPAC Name: N-(2-hydroxy-5-isothiocyanatophenyl)butanamide Traditional Name: N-(2-hydroxy-5-isothiocyanato-phenyl)butyramide Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O2S/c1-2-3-11(15)13-9-6-8(12-7-16)4-5-10(9)14/h4-6,14H,2-3H2,1H3,(H,13,15)