3-bromanyl-4-(2-methoxyethoxy)-N-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(2-methoxyethoxy)-N-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(4-allyloxybenzoyl)amino]carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-4-(2-methoxyethoxy)-N-[[[oxo-(4-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methoxyethoxy)-N-[[(4-prop-2-enoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(4-allyloxybenzoyl)amino]thiocarbamoyl]-3-bromo-4-(2-methoxyethoxy)benzamide Formula: C21H22BrN3O5S MolecularWeight: 508.38548

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC=C)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC=C)Br

InChI

InChI=1S/C21H22BrN3O5S/c1-3-10-29-16-7-4-14(5-8-16)20(27)24-25-21(31)23-19(26)15-6-9-18(17(22)13-15)30-12-11-28-2/h3-9,13H,1,10-12H2,2H3,(H,24,27)(H2,23,25,26,31)