4-isothiocyanato-N-phenyl-N-propyl-benzenesulfonamide

Systemtic Name: 4-isothiocyanato-N-phenyl-N-propyl-benzenesulfonamide Openeye Name: 4-isothiocyanato-N-phenyl-N-propyl-benzenesulfonamide CAS Name: 4-isothiocyanato-N-phenyl-N-propylbenzenesulfonamide IUPAC Name: 4-isothiocyanato-N-phenyl-N-propylbenzenesulfonamide Traditional Name: 4-isothiocyanato-N-phenyl-N-propyl-benzenesulfonamide Formula: C16H16N2O2S2 MolecularWeight: 332.44044

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C16H16N2O2S2/c1-2-12-18(15-6-4-3-5-7-15)22(19,20)16-10-8-14(9-11-16)17-13-21/h3-11H,2,12H2,1H3