N-(2-diethylaminoethyl)-4-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]benzamide

Systemtic Name: N-(2-diethylaminoethyl)-4-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]benzamide Openeye Name: N-(2-diethylaminoethyl)-4-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[[3-(dimethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]benzamide Traditional Name: N-(2-diethylaminoethyl)-4-[[3-(dimethylsulfamoyl)phenyl]thiocarbamoylamino]benzamide Formula: C22H31N5O3S2 MolecularWeight: 477.64324

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C22H31N5O3S2/c1-5-27(6-2)15-14-23-21(28)17-10-12-18(13-11-17)24-22(31)25-19-8-7-9-20(16-19)32(29,30)26(3)4/h7-13,16H,5-6,14-15H2,1-4H3,(H,23,28)(H2,24,25,31)