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

Systemtic Name: 3-bromanyl-4-methoxy-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-allyloxyphenyl)carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: 3-bromo-4-methoxy-N-[(4-prop-2-enoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(4-allyloxyphenyl)thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C18H17BrN2O3S MolecularWeight: 421.30818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC=C)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC=C)Br

InChI

InChI=1S/C18H17BrN2O3S/c1-3-10-24-14-7-5-13(6-8-14)20-18(25)21-17(22)12-4-9-16(23-2)15(19)11-12/h3-9,11H,1,10H2,2H3,(H2,20,21,22,25)