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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC=C)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC=C)Br

InChI

InChI=1S/C21H22BrN3O4S/c1-4-11-28-17-8-6-5-7-15(17)20(27)24-25-21(30)23-19(26)14-9-10-18(16(22)12-14)29-13(2)3/h4-10,12-13H,1,11H2,2-3H3,(H,24,27)(H2,23,25,26,30)