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

Systemtic Name: 3-(butylamino)-4-phenoxy-N,N-bis(phenylmethyl)-5-sulfamoyl-benzenecarbothioamide Openeye Name: N,N-dibenzyl-3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbothioamide CAS Name: 3-(butylamino)-4-phenoxy-N,N-bis(phenylmethyl)-5-sulfamoylbenzenecarbothioamide IUPAC Name: N,N-dibenzyl-3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbothioamide Traditional Name: N,N-dibenzyl-3-(butylamino)-4-phenoxy-5-sulfamoyl-thiobenzamide Formula: C31H33N3O3S2 MolecularWeight: 559.74202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3)S(=O)(=O)N)OC4=CC=CC=C4

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3)S(=O)(=O)N)OC4=CC=CC=C4

InChI

InChI=1S/C31H33N3O3S2/c1-2-3-19-33-28-20-26(21-29(39(32,35)36)30(28)37-27-17-11-6-12-18-27)31(38)34(22-24-13-7-4-8-14-24)23-25-15-9-5-10-16-25/h4-18,20-21,33H,2-3,19,22-23H2,1H3,(H2,32,35,36)