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

Systemtic Name: 5-bromanyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[(4-allyloxyphenyl)carbamothioyl]-5-bromo-2-propoxy-benzamide CAS Name: 5-bromo-N-[(4-prop-2-enoxyanilino)-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[(4-prop-2-enoxyphenyl)carbamothioyl]-2-propoxybenzamide Traditional Name: N-[(4-allyloxyphenyl)thiocarbamoyl]-5-bromo-2-propoxy-benzamide Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OCC=C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C20H21BrN2O3S/c1-3-11-25-16-8-6-15(7-9-16)22-20(27)23-19(24)17-13-14(21)5-10-18(17)26-12-4-2/h3,5-10,13H,1,4,11-12H2,2H3,(H2,22,23,24,27)