4-isothiocyanato-N,N-bis(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-isothiocyanato-N,N-bis(phenylmethyl)benzenesulfonamide Openeye Name: N,N-dibenzyl-4-isothiocyanato-benzenesulfonamide CAS Name: 4-isothiocyanato-N,N-bis(phenylmethyl)benzenesulfonamide IUPAC Name: N,N-dibenzyl-4-isothiocyanatobenzenesulfonamide Traditional Name: N,N-dibenzyl-4-isothiocyanato-benzenesulfonamide Formula: C21H18N2O2S2 MolecularWeight: 394.50982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C21H18N2O2S2/c24-27(25,21-13-11-20(12-14-21)22-17-26)23(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-14H,15-16H2