(phenylmethyl) 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate

Systemtic Name: (phenylmethyl) 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate Openeye Name: benzyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioic acid benzyl ester Formula: C24H26N2O3S3 MolecularWeight: 486.66984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=S)SCC2=CC=CC=C2)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=S)SCC2=CC=CC=C2)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O3S3/c1-2-3-14-26-21-15-19(24(30)31-17-18-10-6-4-7-11-18)16-22(32(25,27)28)23(21)29-20-12-8-5-9-13-20/h4-13,15-16,26H,2-3,14,17H2,1H3,(H2,25,27,28)