5-bromanyl-N-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[[(4-allyloxybenzoyl)amino]carbamothioyl]-5-bromo-2-propoxy-benzamide CAS Name: 5-bromo-N-[[[oxo-(4-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[(4-prop-2-enoxybenzoyl)amino]carbamothioyl]-2-propoxybenzamide Traditional Name: N-[[(4-allyloxybenzoyl)amino]thiocarbamoyl]-5-bromo-2-propoxy-benzamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O4S/c1-3-11-28-16-8-5-14(6-9-16)19(26)24-25-21(30)23-20(27)17-13-15(22)7-10-18(17)29-12-4-2/h3,5-10,13H,1,4,11-12H2,2H3,(H,24,26)(H2,23,25,27,30)