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

Systemtic Name: 3-bromanyl-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C22H21BrClN3O3S2 MolecularWeight: 554.90744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br

InChI

InChI=1S/C22H21BrClN3O3S2/c1-12(2)9-10-30-16-8-7-13(11-15(16)23)20(28)25-22(31)27-26-21(29)19-18(24)14-5-3-4-6-17(14)32-19/h3-8,11-12H,9-10H2,1-2H3,(H,26,29)(H2,25,27,28,31)