5-bromanyl-2-propan-2-yloxy-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-propan-2-yloxy-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(allylcarbamoyl)phenyl]carbamothioyl]-5-bromo-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-2-propan-2-yloxy-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[2-(allylcarbamoyl)phenyl]thiocarbamoyl]-5-bromo-2-isopropoxy-benzamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C

InChI

InChI=1S/C21H22BrN3O3S/c1-4-11-23-19(26)15-7-5-6-8-17(15)24-21(29)25-20(27)16-12-14(22)9-10-18(16)28-13(2)3/h4-10,12-13H,1,11H2,2-3H3,(H,23,26)(H2,24,25,27,29)