3-(butylamino)-N,N-diethyl-4-phenoxy-5-sulfamoyl-benzenecarbothioamide

Systemtic Name: 3-(butylamino)-N,N-diethyl-4-phenoxy-5-sulfamoyl-benzenecarbothioamide Openeye Name: 3-(butylamino)-N,N-diethyl-4-phenoxy-5-sulfamoyl-benzenecarbothioamide CAS Name: 3-(butylamino)-N,N-diethyl-4-phenoxy-5-sulfamoylbenzenecarbothioamide IUPAC Name: 3-(butylamino)-N,N-diethyl-4-phenoxy-5-sulfamoylbenzenecarbothioamide Traditional Name: 3-(butylamino)-N,N-diethyl-4-phenoxy-5-sulfamoyl-thiobenzamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S2/c1-4-7-13-23-18-14-16(21(28)24(5-2)6-3)15-19(29(22,25)26)20(18)27-17-11-9-8-10-12-17/h8-12,14-15,23H,4-7,13H2,1-3H3,(H2,22,25,26)