(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]acrylamide Formula: C28H28BrN5O2S MolecularWeight: 578.52322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C=CC4=C(C=CC(=C4)Br)OC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)/C=C/C4=C(C=CC(=C4)Br)OC)C

InChI

InChI=1S/C28H28BrN5O2S/c1-4-5-6-19-7-11-22(12-8-19)34-32-24-15-18(2)23(17-25(24)33-34)30-28(37)31-27(35)14-9-20-16-21(29)10-13-26(20)36-3/h7-17H,4-6H2,1-3H3,(H2,30,31,35,37)/b14-9+