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

Systemtic Name: 3-bromanyl-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C21H19BrClN3O3S2 MolecularWeight: 540.88086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrClN3O3S2/c1-11(2)10-29-15-8-7-12(9-14(15)22)19(27)24-21(30)26-25-20(28)18-17(23)13-5-3-4-6-16(13)31-18/h3-9,11H,10H2,1-2H3,(H,25,28)(H2,24,26,27,30)