N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C21H19BrClN3O3S2 MolecularWeight: 540.88086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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