3-(dimethylamino)propyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate

Systemtic Name: 3-(dimethylamino)propyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate Openeye Name: 3-(dimethylamino)propyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioic acid 3-(dimethylamino)propyl ester IUPAC Name: 3-(dimethylamino)propyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioic acid 3-(dimethylamino)propyl ester Formula: C22H31N3O3S3 MolecularWeight: 481.69484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=S)SCCCN(C)C)S(=O)(=O)N)OC2=CC=CC=C2

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=S)SCCCN(C)C)S(=O)(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C22H31N3O3S3/c1-4-5-12-24-19-15-17(22(29)30-14-9-13-25(2)3)16-20(31(23,26)27)21(19)28-18-10-7-6-8-11-18/h6-8,10-11,15-16,24H,4-5,9,12-14H2,1-3H3,(H2,23,26,27)