5-bromanyl-N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[[(4-isobutoxybenzoyl)amino]carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[[(4-isobutoxybenzoyl)amino]thiocarbamoyl]-2-isopropoxy-benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C

InChI

InChI=1S/C22H26BrN3O4S/c1-13(2)12-29-17-8-5-15(6-9-17)20(27)25-26-22(31)24-21(28)18-11-16(23)7-10-19(18)30-14(3)4/h5-11,13-14H,12H2,1-4H3,(H,25,27)(H2,24,26,28,31)