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

Systemtic Name: 3-bromanyl-N-[[(2-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[(2-allyloxybenzoyl)amino]carbamothioyl]-3-bromo-4-propoxy-benzamide CAS Name: 3-bromo-N-[[[oxo-(2-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[(2-allyloxybenzoyl)amino]thiocarbamoyl]-3-bromo-4-propoxy-benzamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC=C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC=C)Br

InChI

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