5-bromanyl-2-(2-methylpropoxy)-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methylpropoxy)-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methylpropoxy)-N-[[[oxo-(2-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methylpropoxy)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[[(2-propoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

InChI

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