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

Systemtic Name: 3-bromanyl-N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[(4-isobutoxybenzoyl)amino]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[(4-isobutoxybenzoyl)amino]thiocarbamoyl]-4-propoxy-benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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