4-tert-butyl-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]benzamide Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H20ClN3O2S2/c1-21(2,3)13-10-8-12(9-11-13)18(26)23-20(28)25-24-19(27)17-16(22)14-6-4-5-7-15(14)29-17/h4-11H,1-3H3,(H,24,27)(H2,23,25,26,28)