3-chloranyl-N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(4-isobutoxybenzoyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[(4-isobutoxybenzoyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H20ClN3O3S2/c1-12(2)11-28-14-9-7-13(8-10-14)19(26)24-25-21(29)23-20(27)18-17(22)15-5-3-4-6-16(15)30-18/h3-10,12H,11H2,1-2H3,(H,24,26)(H2,23,25,27,29)