N-[4-(1,3-benzodioxol-5-ylcarbamothioylamino)phenyl]sulfonylbenzamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylcarbamothioylamino)phenyl]sulfonylbenzamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylcarbamothioylamino)phenyl]sulfonylbenzamide CAS Name: N-[4-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylcarbamothioylamino)phenyl]sulfonylbenzamide Traditional Name: N-[4-(1,3-benzodioxol-5-ylthiocarbamoylamino)phenyl]sulfonylbenzamide Formula: C21H17N3O5S2 MolecularWeight: 455.50678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O5S2/c25-20(14-4-2-1-3-5-14)24-31(26,27)17-9-6-15(7-10-17)22-21(30)23-16-8-11-18-19(12-16)29-13-28-18/h1-12H,13H2,(H,24,25)(H2,22,23,30)