(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]acrylamide Formula: C22H22BrN3O2S2 MolecularWeight: 504.46298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C=CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)/C=C/C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C22H22BrN3O2S2/c1-3-4-5-14-6-9-17-19(12-14)30-22(24-17)26-21(29)25-20(27)11-7-15-13-16(23)8-10-18(15)28-2/h6-13H,3-5H2,1-2H3,(H2,24,25,26,27,29)/b11-7+