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

Systemtic Name: 5-bromanyl-2-(2-methoxyethoxy)-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-(2-methoxyethoxy)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methoxyethoxy)-N-[[[oxo-(2-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methoxyethoxy)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-(2-methoxyethoxy)-N-[[(2-propoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H24BrN3O5S MolecularWeight: 510.40136

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O5S/c1-3-10-29-17-7-5-4-6-15(17)20(27)24-25-21(31)23-19(26)16-13-14(22)8-9-18(16)30-12-11-28-2/h4-9,13H,3,10-12H2,1-2H3,(H,24,27)(H2,23,25,26,31)