(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[(2-butan-2-ylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[(2-butan-2-ylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[(2-sec-butylphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[(2-butan-2-ylanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[(2-butan-2-ylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[(2-sec-butylphenyl)thiocarbamoyl]acrylamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H23BrN2O2S/c1-4-14(2)17-7-5-6-8-18(17)23-21(27)24-20(25)12-9-15-13-16(22)10-11-19(15)26-3/h5-14H,4H2,1-3H3,(H2,23,24,25,27)/b12-9+