5-bromanyl-2-(2-methylpropoxy)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methylpropoxy)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(2-allyloxyphenyl)carbamothioyl]-5-bromo-2-isobutoxy-benzamide CAS Name: 5-bromo-2-(2-methylpropoxy)-N-[(2-prop-2-enoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methylpropoxy)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(2-allyloxyphenyl)thiocarbamoyl]-5-bromo-2-isobutoxy-benzamide Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCC=C

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCC=C

InChI

InChI=1S/C21H23BrN2O3S/c1-4-11-26-19-8-6-5-7-17(19)23-21(28)24-20(25)16-12-15(22)9-10-18(16)27-13-14(2)3/h4-10,12,14H,1,11,13H2,2-3H3,(H2,23,24,25,28)