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

Systemtic Name: 5-bromanyl-2-hexoxy-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-allyloxyphenyl)carbamothioyl]-5-bromo-2-hexoxy-benzamide CAS Name: 5-bromo-2-hexoxy-N-[(4-prop-2-enoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(4-allyloxyphenyl)thiocarbamoyl]-5-bromo-2-hexoxy-benzamide Formula: C23H27BrN2O3S MolecularWeight: 491.44108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OCC=C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C23H27BrN2O3S/c1-3-5-6-7-15-29-21-13-8-17(24)16-20(21)22(27)26-23(30)25-18-9-11-19(12-10-18)28-14-4-2/h4,8-13,16H,2-3,5-7,14-15H2,1H3,(H2,25,26,27,30)