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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC(C)C

InChI

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