N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: N-[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H22ClN3O3S2 MolecularWeight: 476.01138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H22ClN3O3S2/c1-3-13(2)14-8-4-6-10-16(14)29-12-18(27)25-26-22(30)24-21(28)20-19(23)15-9-5-7-11-17(15)31-20/h4-11,13H,3,12H2,1-2H3,(H,25,27)(H2,24,26,28,30)