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

Systemtic Name: 3-bromanyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[(4-allyloxyphenyl)carbamothioyl]-3-bromo-4-propoxy-benzamide CAS Name: 3-bromo-N-[(4-prop-2-enoxyanilino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[(4-prop-2-enoxyphenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: N-[(4-allyloxyphenyl)thiocarbamoyl]-3-bromo-4-propoxy-benzamide Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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