3-butoxy-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(allylsulfamoyl)phenyl]carbamothioyl]-3-butoxy-benzamide CAS Name: 3-butoxy-N-[[4-(prop-2-enylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(allylsulfamoyl)phenyl]thiocarbamoyl]-3-butoxy-benzamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC=C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC=C

InChI

InChI=1S/C21H25N3O4S2/c1-3-5-14-28-18-8-6-7-16(15-18)20(25)24-21(29)23-17-9-11-19(12-10-17)30(26,27)22-13-4-2/h4,6-12,15,22H,2-3,5,13-14H2,1H3,(H2,23,24,25,29)